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Substance Name: 9,11-Didehydrotigogenin
RN: 1106-20-3
InChIKey: QCVKYDNFSXDPSW-NGAWEBMDSA-N

Molecular Formula

  • C27-H42-O3

Molecular Weight

  • 414.6258
 
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Names and Synonyms

Name of Substance

  • 9,11-Didehydrotigogenin

Synonyms

  • (25R)-5alpha-Spirost-9(11)-en-3beta-ol
  • Tigogenin, 9,11-didehydro-

Systematic Name

  • 5alpha-Spirost-9(11)-en-3beta-ol, (25R)-

Registry Numbers

CAS Registry Number

  • 1106-20-3

System Generated Number

  • 0001106203

Structure Descriptors

InChI

1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

QCVKYDNFSXDPSW-NGAWEBMDSA-N

Smiles

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