(4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-oic acid

CAS Registry Number®

3482-38-0

CAS Name

(4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-oic acid

Molecular Formula

C31H44O6

Molecular Mass

512.68

Cite this Page

(4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3482-38-0 (retrieved 2024-11-08) (CAS RN: 3482-38-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H44O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,25,27H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,25-,27-,29-,30-,31-/m0/s1

InChIKey

InChIKey=XHWNFPOLQYKPKS-CNZZPSATSA-N

SMILES

C[C@@]12[C@]3(C)[C@](/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](OC(C)=O)C3)(CC(=O)[C@]1([C@]4(C)[C@@](CC2)([C@H](C)C(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CC(=O)C3C4(C)CCC(=O)C(C)C4CCC32C)CCC=C(C)C

Other Names for this Substance

  • 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dioxo-, (4α,8α,9β,13α,14β,16β,17Z)-
  • 29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 16β-hydroxy-3,11-dioxo-, acetate, (Z)-
  • Fusidic acid, 3,11-dioxo-
  • (4α,8α,9β,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-oic acid
  • 3,11-Diketofusidic acid

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CAS INSIGHTSTM
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