Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-

CAS Registry Number®

196607-74-6

CAS Name

Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-

Molecular Formula

C27H42O5

Molecular Mass

446.62

Cite this Page

Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=196607-74-6 (retrieved 2025-03-09) (CAS RN: 196607-74-6).  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)24-23(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+/m0/s1

InChIKey

InChIKey=BTSHHJQHTVNSLW-LSLZVYMXSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@@]([C@H](O)C5)(C[C@@H](O)C(=O)C6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1CC2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CC(O)C2CC1O

Other Names for this Substance

  • Spirostan-2-one, 3,6-dihydroxy-, (3β,5α,6β,25S)-
  • Neoporrigenin B
  • (-)-Neoporrigenin B

CAS INSIGHTSTM
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