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
C34H54O11Molecular Mass
638.79Cite 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 ) (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)-