Withalongolide A

CAS Registry Number®

1350448-42-8

CAS Name

Withalongolide A

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

Withalongolide A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350448-42-8 (retrieved 2024-11-08) (CAS RN: 1350448-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-14-10-21(34-25(33)17(14)12-29)15(2)18-4-5-19-16-11-24-28(35-24)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h6-7,15-16,18-21,23-24,29-30,32H,4-5,8-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

InChIKey

InChIKey=FJMXKFSOKLFYRC-CKNDUULBSA-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=CC2=O

Canonical SMILES

O=C1OC(CC(=C1CO)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-4,19,22,27-tetrahydroxy-1-oxo-, δ-lactone, (4β,5β,6β,22R)-
  • Withalongolide A