Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-

CAS Registry Number®

155510-74-0

CAS Name

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-

Molecular Formula

C48H76O21

Molecular Mass

989.10

Cite this Page

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-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=155510-74-0 (retrieved 2024-11-22) (CAS RN: 155510-74-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H76O21/c1-19(20(2)43(62)69-46-42(39(59)36(56)32(67-46)18-63-22(4)51)68-45-41(61)38(58)35(55)31(17-50)66-45)13-29(52)21(3)26-9-10-27-25-8-7-23-14-24(64-44-40(60)37(57)34(54)30(16-49)65-44)15-33(53)48(23,6)28(25)11-12-47(26,27)5/h7,21,24-42,44-46,49-50,52-61H,8-18H2,1-6H3/b20-19+/t21-,24+,25-,26+,27-,28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,44+,45-,46-,47+,48-/m0/s1

InChIKey

InChIKey=CBKQGELSNULPLY-LZMPJAEESA-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]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O5)=O)\C)/C)O)C)(CC4)[H])[H])(CC=C1C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C[C@@H]2O)[H])[H]

Canonical SMILES

O=C(OC1OC(COC(=O)C)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C(=C(C)CC(O)C(C)C3CCC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7O)CC(O)C6(C)C5CCC34C)C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration