Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-22,27-dihydroxy-, δ-lactone, (1α,3β,22R)-

CAS Registry Number®

227179-08-0

CAS Name

Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-22,27-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)-22,27-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=227179-08-0 (retrieved 2024-11-22) (CAS RN: 227179-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3/t18-,21+,22-,24+,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36-/m0/s1

InChIKey

InChIKey=SKADEWVNQSRPEJ-SQXNYGDCSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)[C@]5(CC(C)=C(CO)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(=C1CO)C)C(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(OC(=O)C)C5(C)C4CCC23C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-22,27-dihydroxy-, δ-lactone, (1α,3β,22R)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration