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Substance Name: Stigmasterol
RN: 83-48-7
UNII: 99WUK5D0Y8
InChIKey: HCXVJBMSMIARIN-PHZDYDNGSA-N

Molecular Formula

  • C29-H48-O

Molecular Weight

  • 412.6972
 

Names and Synonyms

Name of Substance

  • Stigmasterol

MeSH Heading

  • Stigmasterol

Synonyms

  • (24S)-5,22-Stigmastadien-3beta-ol
  • CCRIS 7476
  • EINECS 201-482-7
  • HSDB 7683
  • NSC 8095
  • Stigmasta-5,22-dien-3-ol, (3beta)-
  • Stigmasterin
  • Stigmasterol
  • UNII-99WUK5D0Y8

Systematic Names

  • Stigmasta-5,22-dien-3-beta-ol
  • Stigmasta-5,22-dien-3-ol, (3beta,22E)-
  • Stigmasta-5,22-dien-3-ol, (3beta,22E)- (9CI)
  • Stigmasta-5,22-dien-3beta-ol (8CI)
  • Stigmasterol

Registry Numbers

CAS Registry Number

  • 83-48-7

FDA UNII

  • 99WUK5D0Y8

System Generated Number

  • 0000083487

Structure Descriptors

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

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) 9.430 (none)   EST
Atmospheric OH Rate Constant 1.85E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.