Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

CAS Registry Number®

155510-75-1

CAS Name

Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

Molecular Formula

C34H54O11

Molecular Mass

638.79

Cite this Page

Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155510-75-1 (retrieved 2024-11-25) (CAS RN: 155510-75-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15+/t17-,19+,20-,21+,22-,23+,24-,25+,26-,27+,28+,29-,30+,32-,33+,34+/m0/s1

InChIKey

InChIKey=PKYGFGNTTYORCF-ZFKUAUOHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@@]([C@@H]([C@@H](C/C(=C(/C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=O)\C)/C)O)C)(CC4)[H])[H])(CC=C1C[C@@H](O)C[C@@H]2O)[H])[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=C(C)CC(O)C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC23C)C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

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