(1α,3β,4α,16β,24S)-1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acid

CAS Registry Number®

301540-74-9

CAS Name

(1α,3β,4α,16β,24S)-1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acid

Molecular Formula

C31H52O8

Molecular Mass

552.74

Cite this Page

(1α,3β,4α,16β,24S)-1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=301540-74-9 (retrieved 2024-11-22) (CAS RN: 301540-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-228 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20-,21-,22-,23-,25+,26-,27-,28-,29-,30+,31+/m0/s1

InChIKey

InChIKey=DXAVXXNAJINCIJ-MJBOWTQPSA-N

SMILES

O[C@@H]1[C@@]23[C@@]4(C2)[C@]([C@@]5(C)[C@](C)(CC4)[C@@]([C@@](CC[C@](C(C)C)(CO)O)(C)O)([C@@H](O)C5)[H])(CC[C@]3([C@@](C(O)=O)(C)[C@@H](O)C1)[H])[H]

Canonical SMILES

O=C(O)C1(C)C(O)CC(O)C23CC43CCC5(C)C(C(O)CC5(C)C4CCC12)C(O)(C)CCC(O)(CO)C(C)C

Other Names for this Substance

  • 9,19-Cyclolanostan-28-oic acid, 1,3,16,20,24-pentahydroxy-24-(hydroxymethyl)-, (1α,3β,4α,16β,24S)-
  • (1α,3β,4α,16β,24S)-1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oic acid
  • Cyclopassifloic acid E

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