Spirostan-2,3,6-triol, (2β,3β,5α,6β,25R)-

CAS Registry Number®

196607-75-7

CAS Name

Spirostan-2,3,6-triol, (2β,3β,5α,6β,25R)-

Molecular Formula

C27H44O5

Molecular Mass

448.64

Cite this Page

Spirostan-2,3,6-triol, (2β,3β,5α,6β,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=196607-75-7 (retrieved 2024-11-26) (CAS RN: 196607-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O5/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/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+,26-,27-/m1/s1

InChIKey

InChIKey=FYRLHXNMINIDCB-FJQPKSSRSA-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@@H](O)C6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OC1CC2C(O)CC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1O

Other Names for this Substance

  • Spirostan-2,3,6-triol, (2β,3β,5α,6β,25R)-
  • Porrigenin A

CAS INSIGHTSTM
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