Ergost-24-en-26-oic acid, 5,6-epoxy-4,19,22,27-tetrahydroxy-1-oxo-3-(sulfooxy)-, δ-lactone, (3β,4β,5β,6β,22R)-

CAS Registry Number®

1350448-48-4

CAS Name

Ergost-24-en-26-oic acid, 5,6-epoxy-4,19,22,27-tetrahydroxy-1-oxo-3-(sulfooxy)-, δ-lactone, (3β,4β,5β,6β,22R)-

Molecular Formula

C28H40O11S

Molecular Mass

584.68

Cite this Page

Ergost-24-en-26-oic acid, 5,6-epoxy-4,19,22,27-tetrahydroxy-1-oxo-3-(sulfooxy)-, δ-lactone, (3β,4β,5β,6β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350448-48-4 (retrieved 2024-11-04) (CAS RN: 1350448-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O11S/c1-13-8-20(37-25(33)16(13)11-29)14(2)17-4-5-18-15-9-23-28(38-23)24(32)21(39-40(34,35)36)10-22(31)27(28,12-30)19(15)6-7-26(17,18)3/h14-15,17-21,23-24,29-30,32H,4-12H2,1-3H3,(H,34,35,36)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1

InChIKey

InChIKey=COBSTJNYJHEYIM-WQWZRYHASA-N

SMILES

C(O)[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CC[C@@]5([C@H](C)[C@]6(CC(C)=C(CO)C(=O)O6)[H])[H])[H])[H])[H])[H])[C@@H](O)[C@@H](OS(=O)(=O)O)CC2=O

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC5OC65C(O)C(OS(=O)(=O)O)CC(=O)C6(CO)C4CCC23C

Other Names for this Substance

  • Ergost-24-en-26-oic acid, 5,6-epoxy-4,19,22,27-tetrahydroxy-1-oxo-3-(sulfooxy)-, δ-lactone, (3β,4β,5β,6β,22R)-
  • Withalongolide G

CAS INSIGHTSTM
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