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Substance Name: 1beta-Hydroxycrabbogenin
RN: 80735-21-3
InChIKey: XLHFBXMTUNORSV-CQOZKXSPSA-N

Molecular Weight

  • 430.6248
 
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Names and Synonyms

Name of Substance

  • 1beta-Hydroxycrabbogenin

Systematic Name

  • Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-

Registry Numbers

CAS Registry Number

  • 80735-21-3

System Generated Number

  • 0080735213

Structure Descriptors

InChI

1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey

XLHFBXMTUNORSV-CQOZKXSPSA-N

Smiles

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4([C@@H](C[C@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6