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

CAS Registry Number®

155510-72-8
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CAS Name

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

Molecular Formula

C40H64O15

Molecular Mass

784.93

Cite this Page

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, β-D-glucopyranosyl ester, (1α,3β,22R,24E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155510-72-8 (retrieved 2024-09-19) (CAS RN: 155510-72-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17+/t19-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38-,39+,40-/m0/s1

InChIKey

InChIKey=JPXWUHUTNQDPDE-WUHRBCIZSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)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(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C

Other Names for this Substance

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