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Substance Name: Barbourgenin
RN: 105815-87-0
InChIKey: VMVODFKYINXZDT-PUHUBZITSA-N

Note

  • A steroidal sapogenin isolated from Agave sisalana leaves.

Molecular Weight

  • 432.641
 
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Names and Synonyms

Name of Substance

  • Barbourgenin

Synonym

  • Spirostane-3,27-diol

Systematic Name

  • Spirostan-3,27-diol, (3beta,5alpha,25S)-

Registry Numbers

CAS Registry Number

  • 105815-87-0

System Generated Number

  • 0105815870

Structure Descriptors

InChI

1S/C27H44O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h16-24,28-29H,4-15H2,1-3H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

InChIKey

VMVODFKYINXZDT-PUHUBZITSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)CC[C@H]3[C@@]2(C1)C)C)OC[C@@H](CC6)CO)O