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Substance Name: Porrigenin B
RN: 196607-73-5
InChIKey: BTSHHJQHTVNSLW-WRPNYKIDSA-N

Note

  • From leek, Allium porrum.

Molecular Formula

  • C27-H42-O5

Molecular Weight

  • 446.624
 
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Names and Synonyms

Results Name

  • Porrigenin B

Synonyms

  • (-)-Porrigenin B
  • (25R)-2-Oxo-5alpha-spirostan-3beta,6beta-diol
  • Porrigenin B

Systematic Name

  • Spirostan-2-one, 3,6-dihydroxy-, (3beta,5alpha,6beta,25R)-

Registry Numbers

CAS Registry Number

  • 196607-73-5

System Generated Number

  • 0196607735

Structure Descriptors

InChI

1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,23+,24+,25+,26-,27?/m1/s1

InChIKey

BTSHHJQHTVNSLW-WRPNYKIDSA-N

Smiles

C1([C@@H](C[C@@H]2[C@@H](C[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)C)O)O)=O