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Substance Name: 9-Dehydrohecogenin
RN: 3514-26-9
InChIKey: YLZUMNXGXFXZNQ-SMCBIBCGSA-N

Molecular Formula

  • C27-H40-O4

Molecular Weight

  • 428.609
 
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Names and Synonyms

Name of Substance

  • 9-Dehydrohecogenin

Synonyms

  • 9(11)-Dehydrohecogenin
  • 9-Dehydrohecogenin
  • delta9(11)-Hecogenin

Systematic Name

  • Spirost-9(11)-en-12-one, 3-hydroxy-, (3beta,5alpha,25R)-

Registry Numbers

CAS Registry Number

  • 3514-26-9

Other Registry Number

  • 364368-14-9

System Generated Number

  • 0003514269

Structure Descriptors

InChI

1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15-,16+,17+,18+,19-,21+,22+,24+,25+,26-,27-/m1/s1

InChIKey

YLZUMNXGXFXZNQ-SMCBIBCGSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C=C5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1