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Steroids and sterols

Triolone

Also known as 5beta-Pregnane-3alpha,6alpha,17alpha-triol-20-one, Pregnan-20-one, 3,6,17-trihydroxy-, (3alpha,5beta,6alpha)-, 1-((3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-yl)ethanone

CAS 641-79-2Formula C21H34O4Molar mass 350.50 g/mol
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Triolone chemical structure, C21H34O4, CAS 641-79-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
641-79-2
Formula
C21H34O4
Molar mass
350.50 g/mol
HS code
291440
Category
Steroids and sterols

What is Triolone?

Plain description, key identifiers and synonyms

Triolone is a chemical substance with the molecular formula C21H34O4 and a molar mass of 350.50 g/mol. Its CAS registry number is 641-79-2. The IUPAC name is 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CAS number
641-79-2 CAS number cross-checked
Molecular formula
C21H34O4
InChIKey
XBKMYUZPSUAVAK-KHPLUVTOSA-N
InChI
InChI=1S/C21H34O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18+,19-,20+,21+/m1/s1
Canonical SMILES
CC(=O)C1(O)CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC21C
Isomeric SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O

Synonyms

  • 5beta-Pregnane-3alpha,6alpha,17alpha-triol-20-one
  • Pregnan-20-one, 3,6,17-trihydroxy-, (3alpha,5beta,6alpha)-
  • 1-((3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-yl)ethanone
  • 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 3alpha,6alpha,17-Trihydroxy-5beta-pregnan-20-one

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
350.50 g/molcalc.
Exact mass
350.2457 Dacalc.
LogP (octanol/water)
2.68calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
9calc.
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.

Triolone suppliers

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Triolone 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

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 Triolone is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Triolone?

Triolone is a chemical substance with the molecular formula C21H34O4 and a molar mass of 350.50 g/mol. Its CAS registry number is 641-79-2. The IUPAC name is 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17R)-3,6,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.

What is the CAS number of Triolone?

The CAS registry number of Triolone is 641-79-2.

What is the molecular formula and weight of Triolone?

The molecular formula of Triolone is C21H34O4 and its molar mass is 350.50 g/mol.

Is Triolone hazardous?

No GHS hazard classification for Triolone 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 Triolone?

Triolone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triolone?

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What is the price of Triolone?

Suppliers quote Triolone 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 Triolone

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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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