Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

CAS Registry Number®

155510-76-2

CAS Name

Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

Molecular Formula

C42H66O17

Molecular Mass

842.96

Cite this Page

Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-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=155510-76-2 (retrieved 2024-11-22) (CAS RN: 155510-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17+/t19-,22+,23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,39-,40-,41+,42+/m0/s1

InChIKey

InChIKey=CRRPFFTZRFACDM-ZZYPZKIOSA-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]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[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(O)CC(O)C6(C)C5C(O)CC34C)C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1,3,11,22-tetrahydroxy-, 6-O-acetyl-2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1α,3β,11β,22R,24E)-

CAS INSIGHTSTM
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