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Substance Name: alpha-Ergostenol benzoate
RN: 6055-59-0
UNII: 4HWQ88O5UA
InChIKey: IOHGSXJQBQDGAE-OLCBBKHWSA-N

Molecular Formula

  • C35-H52-O2

Molecular Weight

  • 504.7938
 
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Names and Synonyms

Name of Substance

  • alpha-Ergostenol benzoate

Synonyms

  • (3beta,5alpha)-Ergost-8(14)-en-3-ol, benzoate
  • 5alpha-Ergost-8(14)-en-3beta-ol, benzoate
  • alpha-Ergostenol benzoate
  • alpha-Ergostenol benzoate [MI]
  • Ergost-8(14)-en-3-ol, benzoate, (3beta,5alpha)-
  • UNII-4HWQ88O5UA

Registry Numbers

CAS Registry Number

  • 6055-59-0

FDA UNII

  • 4HWQ88O5UA

System Generated Number

  • 0006055590

Structure Descriptors

InChI

1S/C35H52O2/c1-23(2)24(3)12-13-25(4)30-16-17-31-29-15-14-27-22-28(37-33(36)26-10-8-7-9-11-26)18-20-34(27,5)32(29)19-21-35(30,31)6/h7-11,23-25,27-28,30,32H,12-22H2,1-6H3/t24-,25+,27-,28-,30+,32-,34-,35+/m0/s1

InChIKey

IOHGSXJQBQDGAE-OLCBBKHWSA-N

Smiles

CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccccc5