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Steroids and sterols

20alpha-Hydroxycholesterol

Also known as 20-hydroxycholesterol, (20S)-20-Hydroxycholesterol, Cholest-5-ene-3beta,20alpha-diol

CAS 516-72-3Formula C27H46O2Molar mass 402.66 g/mol
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20alpha-Hydroxycholesterol chemical structure, C27H46O2, CAS 516-72-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
516-72-3
Formula
C27H46O2
Molar mass
402.66 g/mol
HS code
290613
Category
Steroids and sterols

What is 20alpha-Hydroxycholesterol?

Plain description, key identifiers and synonyms

20-hydroxycholesterol is an oxysterol that is cholesterol substituted by a hydroxy group at position 20. It has a role as a mouse metabolite and a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 20-hydroxy steroid and an oxysterol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-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
516-72-3 CAS number cross-checked
Molecular formula
C27H46O2
UNII
30060WAL99
MDL number
MFCD16661190
InChIKey
MCKLJFJEQRYRQT-APGJSSKUSA-N
InChI
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
Canonical SMILES
CC(C)CCCC(C)(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Isomeric SMILES
CC(C)CCC[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)O

Synonyms

  • 20-hydroxycholesterol
  • (20S)-20-Hydroxycholesterol
  • Cholest-5-ene-3beta,20alpha-diol
  • 20S-Cholest-5-ene-3beta,20-diol
  • (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • cholest-5-en-3beta,20-diol
  • 20(S)-OHC
  • Cholest-5-ene-3,20-diol, (3beta)-
  • Cholest-5-ene-3beta,20-diol, (20S)-
  • 20 alpha-hydroxycholesterol
  • (3S,8S,9S,10R,13S,14S,17S)-17-((2S)-2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol
  • (20S)-cholest-5-ene-3 beta,20-diol
  • Cholest-5-ene-3,20-diol, (3 beta)-
  • 20(S)-hydroxycholesterol
  • cholest-5-ene-3beta,20-diol
  • 20?-Hydroxy Cholesterol
  • 20(S)-Hydroxycholesterol (Standard)
  • 20S-hydroxycholesterol
  • (3alpha,8alpha)-Cholest-5-Ene-3,20-Diol
  • 20alpha-hydroxy cholesterol
  • 20a-hydroxy cholesterol
  • cholest-5-en-3beta,20S-diol
  • (20S)-Cholest-5-ene-3beta,20-diol
  • HCD
  • nat-20(S)-Hydroxycholesterol
Show all 31 synonyms
  • 3beta-Cholest-5-ene-3,20-diol
  • 5-Cholesten-3beta, 20alpha-diol
  • Cholest-5-en-3beta,20alpha-diol
  • (3b)-Cholest-5-ene-3,20-diol
  • (3beta)-cholest-5-ene-3,20-diol
  • 20| cent-Hydroxycholesterol (Standard)

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
402.66 g/molcalc.
Exact mass
402.3498 Dacalc.
LogP (octanol/water)
6.5calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
8calc.
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

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.

20alpha-Hydroxycholesterol suppliers

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20alpha-Hydroxycholesterol 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

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse 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 20alpha-Hydroxycholesterol 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 20alpha-Hydroxycholesterol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 20alpha-Hydroxycholesterol, based on the data on this page

What is 20alpha-Hydroxycholesterol?

20-hydroxycholesterol is an oxysterol that is cholesterol substituted by a hydroxy group at position 20. It has a role as a mouse metabolite and a human metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a 20-hydroxy steroid and an oxysterol.

What is the CAS number of 20alpha-Hydroxycholesterol?

The CAS registry number of 20alpha-Hydroxycholesterol is 516-72-3.

What is the molecular formula and weight of 20alpha-Hydroxycholesterol?

The molecular formula of 20alpha-Hydroxycholesterol is C27H46O2 and its molar mass is 402.66 g/mol.

What is 20alpha-Hydroxycholesterol used for?

Known uses and roles of 20alpha-Hydroxycholesterol include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite, metabolite and 1 more.

Is 20alpha-Hydroxycholesterol hazardous?

No GHS hazard classification for 20alpha-Hydroxycholesterol 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 20alpha-Hydroxycholesterol?

20alpha-Hydroxycholesterol 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 20alpha-Hydroxycholesterol?

Post a free request on CompoundList and suppliers of 20alpha-Hydroxycholesterol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 20alpha-Hydroxycholesterol?

Suppliers quote 20alpha-Hydroxycholesterol 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 20alpha-Hydroxycholesterol

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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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