Ergosta-5,24-dien-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,3,19,22-tetrahydroxy-, δ-lactone, (1α,3β,22R)-

CAS Registry Number®

1350448-51-9

CAS Name

Ergosta-5,24-dien-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,3,19,22-tetrahydroxy-, δ-lactone, (1α,3β,22R)-

Molecular Formula

C34H52O11

Molecular Mass

636.77

Cite this Page

Ergosta-5,24-dien-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,3,19,22-tetrahydroxy-, 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=1350448-51-9 (retrieved 2024-11-25) (CAS RN: 1350448-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H52O11/c1-16-18(14-43-32-30(41)29(40)28(39)26(13-35)45-32)10-25(44-31(16)42)17(2)22-6-7-23-21-5-4-19-11-20(37)12-27(38)34(19,15-36)24(21)8-9-33(22,23)3/h4,17,20-30,32,35-41H,5-15H2,1-3H3/t17-,20+,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-/m0/s1

InChIKey

InChIKey=JDYYLQIQTRWVFW-ILJUDCBVSA-N

SMILES

C(O)[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)[C@]5(CC(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C(C)C(=O)O5)[H])(CC4)[H])[H])(CC=C1C[C@@H](O)C[C@@H]2O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)COC2OC(CO)C(O)C(O)C2O)C(C)C3CCC4C5CC=C6CC(O)CC(O)C6(CO)C5CCC34C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,3,19,22-tetrahydroxy-, δ-lactone, (1α,3β,22R)-
  • Withalongolide J

CAS INSIGHTSTM
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