Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,19,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-

CAS Registry Number®

1350448-43-9

CAS Name

Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,19,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-

Molecular Formula

C28H38O6

Molecular Mass

470.60

Cite this Page

Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,19,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350448-43-9 (retrieved 2024-11-24) (CAS RN: 1350448-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

InChIKey

InChIKey=OZBFGYQTKGOIKC-NSYRIIBJSA-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(C)C(=O)O6)[H])[H])[H])[H])[H])[H])[C@@H](O)C=CC2=O

Canonical SMILES

O=C1OC(CC(=C1C)C)C(C)C2CCC3C4CC5OC65C(O)C=CC(=O)C6(CO)C4CCC23C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,19,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-
  • Withalongolide B

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