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Screening compounds

(3beta)-3-Hydroxyoleanan-12-one

Also known as (3|A)-3-Hydroxyoleanan-12-one, (3|?)-3-Hydroxyoleanan-12-one

CAS 5916-18-7Formula C30H50O2Molar mass 442.73 g/mol
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(3beta)-3-Hydroxyoleanan-12-one chemical structure, C30H50O2, CAS 5916-18-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5916-18-7
Formula
C30H50O2
Molar mass
442.73 g/mol
HS code
291440
Category
Screening compounds

What is (3beta)-3-Hydroxyoleanan-12-one?

Plain description, key identifiers and synonyms

(3beta)-3-Hydroxyoleanan-12-one is a chemical substance with the molecular formula C30H50O2 and a molar mass of 442.73 g/mol. Its CAS registry number is 5916-18-7. The IUPAC name is (3S,4aR,6aR,6bR,8aR,12aS,14aR,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-13-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,4aR,6aR,6bR,8aR,12aS,14aR,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-13-one
CAS number
5916-18-7
Molecular formula
C30H50O2
InChIKey
DCTXBCZRIAXTPK-ZNKNEZHLSA-N
InChI
InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-30(8)24(19(27)18-25)20(31)17-22-28(6)11-10-23(32)26(3,4)21(28)9-12-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21-,22+,23-,24?,27+,28-,29+,30+/m0/s1
Canonical SMILES
CC1(C)CCC2(C)CCC3(C)C(C(=O)CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Isomeric SMILES
C[C@@]12CC[C@@]3(C([C@@H]1CC(CC2)(C)C)C(=O)C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C

Synonyms

  • (3|A)-3-Hydroxyoleanan-12-one
  • (3|?)-3-Hydroxyoleanan-12-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
442.73 g/molcalc.
Exact mass
442.3811 Dacalc.
LogP (octanol/water)
7.43calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
9calc.
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, O=C1CC2C3CCCCC3CCC2C2CCC3CCCCC3C12

O=C1CC2C3CCCCC3CCC2C2CCC3CCCCC3C12

5 rings, 23 atoms.

8 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.

(3beta)-3-Hydroxyoleanan-12-one suppliers

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(3beta)-3-Hydroxyoleanan-12-one price

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Uses and applications

What the substance is used for, by industry and function

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 (3beta)-3-Hydroxyoleanan-12-one 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 (3beta)-3-Hydroxyoleanan-12-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (3beta)-3-Hydroxyoleanan-12-one, based on the data on this page

What is (3beta)-3-Hydroxyoleanan-12-one?

(3beta)-3-Hydroxyoleanan-12-one is a chemical substance with the molecular formula C30H50O2 and a molar mass of 442.73 g/mol. Its CAS registry number is 5916-18-7.

What is the CAS number of (3beta)-3-Hydroxyoleanan-12-one?

The CAS registry number of (3beta)-3-Hydroxyoleanan-12-one is 5916-18-7.

What is the molecular formula and weight of (3beta)-3-Hydroxyoleanan-12-one?

The molecular formula of (3beta)-3-Hydroxyoleanan-12-one is C30H50O2 and its molar mass is 442.73 g/mol.

What is (3beta)-3-Hydroxyoleanan-12-one used for?

Known uses and roles of (3beta)-3-Hydroxyoleanan-12-one include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (3beta)-3-Hydroxyoleanan-12-one hazardous?

No GHS hazard classification for (3beta)-3-Hydroxyoleanan-12-one 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 (3beta)-3-Hydroxyoleanan-12-one?

(3beta)-3-Hydroxyoleanan-12-one 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 (3beta)-3-Hydroxyoleanan-12-one?

Post a free request on CompoundList and suppliers of (3beta)-3-Hydroxyoleanan-12-one will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (3beta)-3-Hydroxyoleanan-12-one?

Suppliers quote (3beta)-3-Hydroxyoleanan-12-one 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

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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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