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Steroids and sterols

Sitosterols

Also known as sitosterin, Sitosterol, beta-, Beta-sistosterol

CAS 12002-39-0Formula C29H52OMolar mass 416.73 g/mol
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Sitosterols chemical structure, C29H52O, CAS 12002-39-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
12002-39-0
Formula
C29H52O
Molar mass
416.73 g/mol
HS code
293750
Category
Steroids and sterols

What is Sitosterols?

Plain description, key identifiers and synonyms

Sitosterols is a chemical substance with the molecular formula C29H52O and a molar mass of 416.73 g/mol. Its CAS registry number is 12002-39-0. The IUPAC name is (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS number
12002-39-0 CAS number cross-checked
Molecular formula
C29H52O
UNII
G7V636VTDY
InChIKey
LGJMUZUPVCAVPU-ANOYILKDSA-N
InChI
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21+,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1
Canonical SMILES
CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
Isomeric SMILES
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

Synonyms

  • sitosterin
  • Sitosterol, beta-
  • Beta-sistosterol
  • Betaprost
  • Sitosterol, beta
  • Cytellin
  • 24-Ethyl-5-cholesten-3beta-ol
  • (3beta,24S)-Stigmastan-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
416.73 g/molcalc.
Exact mass
416.4018 Dacalc.
LogP (octanol/water)
8.1calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Sitosterols suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

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Sitosterols price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Sitosterols is traded under.

HS 2937.50Indicative HS code

Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues

World exports in 2024
$270M
+9.1% vs 2023, imports $304M
2019 to 2024
Top exporters
  1. Hungary22.8%
  2. Czech Republic21.6%
  3. South Korea14.6%
Top importers
  1. Japan17.0%
  2. Italy13.1%
  3. Germany10.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Sitosterols?

Sitosterols is a chemical substance with the molecular formula C29H52O and a molar mass of 416.73 g/mol. Its CAS registry number is 12002-39-0.

What is the CAS number of Sitosterols?

The CAS registry number of Sitosterols is 12002-39-0.

What is the molecular formula and weight of Sitosterols?

The molecular formula of Sitosterols is C29H52O and its molar mass is 416.73 g/mol.

Is Sitosterols hazardous?

No GHS hazard classification for Sitosterols is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Sitosterols?

Sitosterols is usually classified under HS code 293750 (Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sitosterols?

Post a free request on CompoundList and suppliers of Sitosterols will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sitosterols?

Suppliers quote Sitosterols 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 Sitosterols

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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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