9,19-Cyclolanostan-28-oic acid, 1,3,16,20,24-pentahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,16β,24S)-

CAS Registry Number®

301540-80-7
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CAS Name

9,19-Cyclolanostan-28-oic acid, 1,3,16,20,24-pentahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,16β,24S)-

Molecular Formula

C37H62O13

Molecular Mass

714.88

Cite this Page

9,19-Cyclolanostan-28-oic acid, 1,3,16,20,24-pentahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,16β,24S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=301540-80-7 (retrieved 2024-09-20) (CAS RN: 301540-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H62O13/c1-18(2)36(48,17-39)12-10-33(5,47)28-19(40)14-32(4)21-7-8-22-34(6,30(46)50-29-27(45)26(44)25(43)20(15-38)49-29)23(41)13-24(42)37(22)16-35(21,37)11-9-31(28,32)3/h18-29,38-45,47-48H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24-,25+,26-,27+,28-,29-,31+,32-,33-,34-,35-,36+,37+/m0/s1

InChIKey

InChIKey=MOYBUGGNPKXCHY-DYDKOGDJSA-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[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=O)(C)[C@@H](O)C1)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(C(O)CC6(C)C5CCC23)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)-, β-D-glucopyranosyl ester, (1α,3β,4α,16β,24S)-
  • Cyclopassifloside VII