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Molecule record

(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

C29H48O

412.70 g/mol

Loading structure

Molecular properties

Formula
C29H48O
Molar mass
412.70 g·mol−1
Exact mass
412.3705 Da
6
PubChem CID
5280794

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene

Physical properties

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

Common names and synonyms

  • (22E)-stigmasta-5,22-dien-3beta-ol
  • (24S)-5,22-Stigmastadien-3beta-ol
  • (3beta,22E)-Stigmasta-5,22-dien-3-ol
  • .beta.-Stigmasterol
  • .delta.5,22-Stigmastadien-3.beta.-ol
  • 201-482-7
  • 5,22-Cholestadien-24-ethyl-3beta-ol
  • 83-48-7
Show all 24 synonyms
  • 99WUK5D0Y8
  • AS-15473
  • CHEBI:28824
  • DTXCID601473919
  • DTXSID801015733
  • MFCD00003630
  • NSC-8095
  • RefChem:6262
  • STIGMASTEROL
  • Stigmasta-5,22-dien-3-beta-ol
  • Stigmasta-5,22-dien-3-ol, (3beta)-
  • Stigmasta-5,22-dien-3-ol, (3beta,22E)-
  • Stigmasta-5,22-dien-3beta-ol
  • Stigmasta-5,22E-dien-3beta-ol
  • Stigmasterin
  • beta-Stigmasterol

Structure identifiers

Canonical SMILES
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Isomeric SMILES
CC[C@H](/C=C/[C@@H](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)C(C)C
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
HCXVJBMSMIARIN-PHZDYDNGSA-N
PubChem CID
5280794

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 (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 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
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl… - Formula, Structure | ChemArche