(1β,3β,24S,25R)-Spirost-5-ene-1,3,24-triol

CAS Registry Number®

114317-59-8
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CAS Name

(1β,3β,24S,25R)-Spirost-5-ene-1,3,24-triol

Molecular Formula

C27H42O5

Molecular Mass

446.62

Cite this Page

(1β,3β,24S,25R)-Spirost-5-ene-1,3,24-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114317-59-8 (retrieved 2024-09-19) (CAS RN: 114317-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=MHNJMWLWHYJLNF-CALIDFKJSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)C[C@H](O)[C@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)C(=CC5)C[C@@H](O)C[C@H]6O)[H])[H])[H])[H])[H]

Canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC5OC6(OCC(C)C(O)C6)C(C)C54)C2(C)C(O)C1

Other Names for this Substance

  • Spirost-5-ene-1,3,24-triol, (1β,3β,24S,25R)-
  • (1β,3β,24S,25R)-Spirost-5-ene-1,3,24-triol
  • Cepagenin
  • (-)-Cepagenin