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Substance Name: beta-Sitosterol acetate
RN: 915-05-9
UNII: TWI48DH01E
InChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-N

Molecular Formula

  • C31-H52-O2

Molecular Weight

  • 456.75
 
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Names and Synonyms

Name of Substance

  • beta-Sitosterol acetate

Synonyms

  • 3beta-Acetoxystigmast-5-ene
  • Acetyl-beta-sitosterol
  • beta-Sitosterol 3-acetate
  • beta-Sitosterol acetate
  • EINECS 213-019-6
  • NSC 11922
  • SITOSTEROL,BETA, ACETATE
  • Sitosteryl acetate
  • Stigmast-5-en-3beta-ol, acetate
  • Stigmast-5-en-3beta-yl acetate
  • UNII-TWI48DH01E

Systematic Names

  • Stigmast-5-en-3-beta-yl acetate
  • Stigmast-5-en-3-ol, acetate (8CI)
  • Stigmast-5-en-3-ol, acetate, (3beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 915-05-9

FDA UNII

  • TWI48DH01E

System Generated Number

  • 0000915059

Structure Descriptors

InChI

1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

InChIKey

PBWOIPCULUXTNY-LBKBYZTLSA-N

Smiles

C=12C[C@@H](OC(=O)C)CC[C@]2(C)[C@H]2CC[C@@]3([C@H](CC[C@@H]3[C@@H]2CC1)[C@@H](CC[C@H](C(C)C)CC)C)C