Withangulatin A

CAS Registry Number®

120824-03-5
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CAS Name

Withangulatin A

Molecular Formula

C30H38O8

Molecular Mass

526.62

Cite this Page

Withangulatin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120824-03-5 (retrieved 2024-09-19) (CAS RN: 120824-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1

InChIKey

InChIKey=PLPXOWZTDPJPHC-ISIACCJKSA-N

SMILES

C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@@]4(O)[C@@H](OC(C)=O)C=C5[C@H](C)[C@]6(CC(C)=C(C)C(=O)O6)[H])[H])[H])[H])[C@@H](O)C=CC2=O

Canonical SMILES

O=C1OC(CC(=C1C)C)C(C2=CC(OC(=O)C)C3(O)C4CC5OC65C(O)C=CC(=O)C6(C)C4CCC23C)C

Other Names for this Substance

  • Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5α,6β,15α,22R)-
  • 5,6-Epoxy-5H-cyclopenta[a]phenanthrene, ergosta-2,16,24-trien-26-oic acid deriv.
  • Withangulatin A
  • Withagulatin A