(1β,3β,5β,25S)-Spirostan-1,3,5-triol

CAS Registry Number®

17149-95-0
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CAS Name

(1β,3β,5β,25S)-Spirostan-1,3,5-triol

Molecular Formula

C27H44O5

Molecular Mass

448.64

Cite this Page

(1β,3β,5β,25S)-Spirostan-1,3,5-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17149-95-0 (retrieved 2024-09-19) (CAS RN: 17149-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    268-269 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

InChIKey

InChIKey=ZUAUXYWVXMTADI-ZRUUGFNHSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@](O)(CC5)C[C@@H](O)C[C@H]6O)[H])[H])[H])[H])[H])CC[C@H](C)CO2

Canonical SMILES

OC1CC(O)C2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CCC2(O)C1

Other Names for this Substance

  • Spirostan-1,3,5-triol, (1β,3β,5β,25S)-
  • 5β-Spirostan-1β,3β,5-triol, (25S)-
  • Convallagenin A
  • (1β,3β,5β,25S)-Spirostan-1,3,5-triol