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Molecule record

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O3

456.71 g/mol

Loading structure

Molecular properties

Formula
C30H48O3
Molar mass
456.71 g·mol−1
Exact mass
456.3603 Da
7
PubChem CID
10494

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Carboxylic acid

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (3-beta)-3-Hydroxyolean-12-en-28-oic acid
  • 208-081-6
  • 3-beta-Hydroxyolean-12-en-28-oic acid
  • 3beta-Hydroxyolean-12-en-28-oic acid
  • 508-02-1
  • 6SMK8R7TGJ
  • Astrantiagenin C
  • CHEBI:37659
Show all 24 synonyms
  • Caryophyllin
  • DTXCID701474453
  • DTXSID50858790
  • Giganteumgenin C
  • MFCD00064914
  • NSC-114945
  • NSC114945
  • OLEANOLIC ACID
  • Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-
  • Oleanic acid
  • Oleanol
  • Oleanolic acid, analytical standard
  • RefChem:6084
  • Triterpenes, Oleanane
  • Virgaureagenin B
  • oleonolic acid

Structure identifiers

Canonical SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
InChI
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey
MIJYXULNPSFWEK-GTOFXWBISA-N
PubChem CID
10494

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record