(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-12-one

CAS Registry Number®

189014-45-7

CAS Name

(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-12-one

Molecular Formula

C27H42O5

Molecular Mass

446.62

Cite this Page

(3β,5α,6β,25R)-3,6-Dihydroxyspirostan-12-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189014-45-7 (retrieved 2024-12-24) (CAS RN: 189014-45-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=AEDBOXCTQDATMF-FBGJJBNLSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2=O)([C@]5(C)[C@@]([C@H](O)C4)(C[C@@H](O)CC5)[H])[H])[H])[H])(O[C@@]6([C@H]3C)CC[C@@H](C)CO6)[H])[H]

Canonical SMILES

O=C1CC2C(CC(O)C3CC(O)CCC23C)C4CC5OC6(OCC(C)CC6)C(C)C5C14C

Other Names for this Substance

  • Spirostan-12-one, 3,6-dihydroxy-, (3β,5α,6β,25R)-
  • (3β,5α,6β,25R)-3,6-Dihydroxyspirostan-12-one
  • 12-keto-Porrigenin
  • 12-Oxoporrigenin

CAS INSIGHTSTM
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