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Steroids and sterols

Halosterol B

Also known as (3beta,22R)-Stigmasta-4,6-diene-3,22-diol, (22R,24R)-24-ethyl-cholest-4,6-diene-3beta,22-diol

CAS 905973-84-4Formula C29H48O2Molar mass 428.70 g/mol
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Halosterol B chemical structure, C29H48O2, CAS 905973-84-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
905973-84-4
Formula
C29H48O2
Molar mass
428.70 g/mol
HS code
290613
Category
Steroids and sterols

What is Halosterol B?

Plain description, key identifiers and synonyms

Halosterol B is a 3beta-hydroxy steroid that is (3beta)-stigmasta-4,6-diene-3-ol with an additional hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity. It has a role as a metabolite and an EC 3.4.21.1 (chymotrypsin) inhibitor. It is a 3beta-hydroxy steroid and a 22-hydroxy steroid. It derives from a hydride of a stigmastane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS number
905973-84-4
Molecular formula
C29H48O2
InChIKey
CEUDUKDULPDRSW-JDVKSECFSA-N
InChI
InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1
Canonical SMILES
CCC(CC(O)C(C)C1CCC2C3C=CC4=CC(O)CCC4(C)C3CCC12C)C(C)C
Isomeric SMILES
CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C[C@H](CC[C@]34C)O)C)O)C(C)C

Synonyms

  • (3beta,22R)-Stigmasta-4,6-diene-3,22-diol
  • (22R,24R)-24-ethyl-cholest-4,6-diene-3beta,22-diol

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
428.70 g/molcalc.
Exact mass
428.3654 Dacalc.
LogP (octanol/water)
6.77calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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, C1=CC2C3CCCC3CCC2C2CCCC=C12

C1=CC2C3CCCC3CCC2C2CCCC=C12

4 rings, 17 atoms.

20 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.

Halosterol B suppliers

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Halosterol B 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

  • enzyme inhibitor
  • metabolite

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 Halosterol B 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 Halosterol B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Halosterol B, based on the data on this page

What is Halosterol B?

Halosterol B is a 3beta-hydroxy steroid that is (3beta)-stigmasta-4,6-diene-3-ol with an additional hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity.

What is the CAS number of Halosterol B?

The CAS registry number of Halosterol B is 905973-84-4.

What is the molecular formula and weight of Halosterol B?

The molecular formula of Halosterol B is C29H48O2 and its molar mass is 428.70 g/mol.

What is Halosterol B used for?

Known uses and roles of Halosterol B include enzyme inhibitor and metabolite.

Is Halosterol B hazardous?

No GHS hazard classification for Halosterol B 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 Halosterol B?

Halosterol B 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 Halosterol B?

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

What is the price of Halosterol B?

Suppliers quote Halosterol B 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 Halosterol B

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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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