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Steroids and sterols

Brassicasterol

Also known as Ergosta-5,22(E)-dien-3beta-ol, Ergosta-5,22E-dien-3beta-ol, (3beta,22E)-ergosta-5,22-dien-3-ol

CAS 474-67-9Formula C28H46OMolar mass 398.68 g/molEC 207-486-5
GHS signal word: Warning. Pictograms: Harmful or irritant 7 suppliers listed
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Brassicasterol chemical structure, C28H46O, CAS 474-67-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
474-67-9
Formula
C28H46O
Molar mass
398.68 g/mol
EC number
207-486-5
HS code
290613
Category
Steroids and sterols

What is Brassicasterol?

Plain description, key identifiers and synonyms

Brassicasterol is an 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil. It has a role as a biomarker, an animal metabolite, a marine metabolite, a plant metabolite, a human metabolite, an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor, a sterol biosynthesis inhibitor and an algal metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols, a 3beta-sterol and an ergostanoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS number
474-67-9 CAS number cross-checked
EC number
207-486-5
Molecular formula
C28H46O
UNII
2B0KG2XFOF
MDL number
MFCD00201659
InChIKey
OILXMJHPFNGGTO-ZAUYPBDWSA-N
InChI
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Synonyms

  • Ergosta-5,22(E)-dien-3beta-ol
  • Ergosta-5,22E-dien-3beta-ol
  • (3beta,22E)-ergosta-5,22-dien-3-ol
  • (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • 24-methyl cholest-5,22-dien-3beta-ol
  • Ergosta-5,22-dien-3-ol, (3beta,22E)-
  • (3S,8S,9S,10R,13R,14S,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol
  • ergosta-5,22-dien-3 beta-ol
  • 24 beta-methylcholesta-5,22-dien-3 beta-ol
  • Brassicasterin
  • Ergosta-5,22-dien-3-ol, (3b,22E)-
  • (22E)-ergosta-5,22-dien-3beta-ol
  • 24(R)-Methylcholesta-5,22E-dien-3beta-ol
  • Brassicasteri
  • 5,22-Ergostadienol
  • 5,22-Ergostadien-3beta-ol
  • Ergosta-5,22-dien-3b-ol
  • (22E,24R)-24-methylcholesta-5,22-dien-3beta-ol
  • Brassicasterol, from semisynthetic
  • (3b,22E)-Ergosta-5,22-dien-3-ol
  • 24(R)-Methylcholesta-5,22E-dien-3b-ol
  • (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
398.68 g/molcalc.
Exact mass
398.3549 Dacalc.
LogP (octanol/water)
7.41calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=C2CCCCC2C2CCC3CCCC3C2C1

C1=C2CCCCC2C2CCC3CCCC3C2C1

4 rings, 17 atoms.

1,163 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Brassicasterol suppliers

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All 7 suppliers
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Where suppliers are based

7 suppliers in 3 countries

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Brassicasterol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • algal metabolite
  • animal metabolite
  • biomarker
  • enzyme inhibitor
  • eukaryotic metabolite
  • human metabolite
  • indicator
  • mammalian metabolite
  • marine metabolite
  • metabolite
  • plant metabolite
  • sterol biosynthesis inhibitor

Pharmacology

Brassicasterol is a steroid derivative characterized by the hydroxyl group in position C-3 of the steroid skeleton, elimination of carbon 24.2 of the alkyl substituent, and unsaturated bonds in position 5-6 of the B ring, and position 22-23 in the alkyl substituent. It is synthesized by several unicellular algae and some terrestrial plants.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Brassicasterol is traded under.

HS 2906.13Indicative HS code

Sterols and inositols

World exports in 2024
$316M
−12.1% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. China42.0%
  2. United States16.4%
  3. Netherlands9.6%
Top importers
  1. Ecuador * partner reported13.0%
  2. China13.0%
  3. United States9.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Brassicasterol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Brassicasterol, based on the data on this page

What is Brassicasterol?

Brassicasterol is an 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil.

What is the CAS number of Brassicasterol?

The CAS registry number of Brassicasterol is 474-67-9.

What is the molecular formula and weight of Brassicasterol?

The molecular formula of Brassicasterol is C28H46O and its molar mass is 398.68 g/mol.

What is Brassicasterol used for?

Known uses and roles of Brassicasterol include algal metabolite, animal metabolite, biomarker, enzyme inhibitor, eukaryotic metabolite and 7 more.

Is Brassicasterol hazardous?

Brassicasterol carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Brassicasterol?

Brassicasterol is usually classified under HS code 290613 (Sterols and inositols). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brassicasterol?

CompoundList lists 7 suppliers of Brassicasterol in China, United States and Ireland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Brassicasterol?

Suppliers quote Brassicasterol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Brassicasterol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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