29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-

CAS Registry Number®

80445-74-5
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CAS Name

29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-

Molecular Formula

C31H50O8

Molecular Mass

550.72

Cite this Page

29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80445-74-5 (retrieved 2024-05-01) (CAS RN: 80445-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H50O8/c1-16-19-10-13-30(6)26(29(19,5)12-11-21(16)33)22(34)14-20-25(23(39-17(2)32)15-31(20,30)7)18(27(36)37)8-9-24(35)28(3,4)38/h16,19-24,26,33-35,38H,8-15H2,1-7H3,(H,36,37)/b25-18-/t16-,19-,20-,21+,22+,23-,24?,26-,29-,30-,31-/m0/s1

InChIKey

InChIKey=PGLFLDPZTHZNCH-DMZSZUJBSA-N

SMILES

C[C@@]12[C@]3(C)[C@]([C@]4(C)[C@@](CC3)([C@H](C)[C@H](O)CC4)[H])([C@H](O)C[C@]1(/C(=C(\CCC(C(C)(C)O)O)/C(O)=O)/[C@@H](OC(C)=O)C2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 29-Nordammar-17(20)-en-21-oic acid, 16-(acetyloxy)-3,11,24,25-tetrahydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
  • 24,25-Dihydroxyfusidic acid

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