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

CAS Registry Number®

301540-82-9

CAS Name

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

Molecular Formula

C37H62O12

Molecular Mass

698.88

Cite this Page

9,19-Cyclolanostan-28-oic acid, 1,3,16,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,16α,24S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=301540-82-9 (retrieved 2024-11-22) (CAS RN: 301540-82-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H62O12/c1-18(2)36(47,17-39)10-9-19(3)26-20(40)14-33(5)22-7-8-23-34(6,31(46)49-30-29(45)28(44)27(43)21(15-38)48-30)24(41)13-25(42)37(23)16-35(22,37)12-11-32(26,33)4/h18-30,38-45,47H,7-17H2,1-6H3/t19-,20-,21-,22+,23+,24+,25+,26+,27-,28+,29-,30+,32-,33+,34+,35+,36-,37-/m1/s1

InChIKey

InChIKey=AJYLEJBHVLQJTI-LAFOATCMSA-N

SMILES

O[C@@H]1[C@@]23[C@@]4(C2)[C@]([C@@]5(C)[C@](C)(CC4)[C@@]([C@@H](CC[C@](C(C)C)(CO)O)C)([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(C)CCC(O)(CO)C(C)C

Other Names for this Substance

  • 9,19-Cyclolanostan-28-oic acid, 1,3,16,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,16α,24S)-
  • Cyclopassifloside X

CAS INSIGHTSTM
Targeted protein degrader structure, illustration