Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-20,22-dihydroxy-, δ-lactone, (1α,3β,22R)-

CAS Registry Number®

82087-30-7
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CAS Name

Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-20,22-dihydroxy-, δ-lactone, (1α,3β,22R)-

Molecular Formula

C36H54O11

Molecular Mass

662.81

Cite this Page

Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-20,22-dihydroxy-, δ-lactone, (1α,3β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82087-30-7 (retrieved 2024-09-20) (CAS RN: 82087-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O11/c1-17-13-28(47-32(42)18(17)2)36(6,43)26-10-9-23-22-8-7-20-14-21(45-33-31(41)30(40)29(39)25(16-37)46-33)15-27(44-19(3)38)35(20,5)24(22)11-12-34(23,26)4/h7,21-31,33,37,39-41,43H,8-16H2,1-6H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-,30+,31-,33-,34+,35+,36-/m1/s1

InChIKey

InChIKey=OWQMNZPAYJJMMA-NTVGDAMXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@](C)(O)[C@@]5(CC(C)=C(C)C(=O)O5)[H])(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]2OC(C)=O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(OC(=O)C)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-20,22-dihydroxy-, δ-lactone, (1α,3β,22R)-