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Steroids and sterols

Bufol

Also known as 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentol, 5alpha-Bufol, 5-alpha-Bufol

CAS 16991-60-9Formula C27H48O5Molar mass 452.68 g/mol
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Bufol chemical structure, C27H48O5, CAS 16991-60-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16991-60-9
Formula
C27H48O5
Molar mass
452.68 g/mol
HS code
290613
Category
Steroids and sterols

What is Bufol?

Plain description, key identifiers and synonyms

5alpha-bufol is the 5alpha-stereoisomer of bufol. It has a role as an animal metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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]phenanthrene-3,7,12-triol
CAS number
16991-60-9
Molecular formula
C27H48O5
InChIKey
XZDHXPDYLPEFQI-GIQUADRUSA-N
InChI
InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
Canonical SMILES
CC(CCCC(C)(O)CO)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric SMILES
C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Synonyms

  • 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
  • 5alpha-Bufol
  • 5-alpha-Bufol
  • 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentaol
  • (3R,5R,7R,9S,10S,12S,13R,14S,17R)-17-((2R)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol"

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
452.68 g/molcalc.
Exact mass
452.3502 Dacalc.
LogP (octanol/water)
3.5calc.
Topological polar surface area
101.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Passes (0 violations)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.

Bufol suppliers

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Bufol 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • 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 Bufol 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 Bufol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bufol?

5alpha-bufol is the 5alpha-stereoisomer of bufol. It has a role as an animal metabolite.

What is the CAS number of Bufol?

The CAS registry number of Bufol is 16991-60-9.

What is the molecular formula and weight of Bufol?

The molecular formula of Bufol is C27H48O5 and its molar mass is 452.68 g/mol.

What is Bufol used for?

Known uses and roles of Bufol include animal metabolite, eukaryotic metabolite and metabolite.

Is Bufol hazardous?

No GHS hazard classification for Bufol 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 Bufol?

Bufol 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 Bufol?

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What is the price of Bufol?

Suppliers quote Bufol 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 Bufol

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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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