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Substance Name: 3,11-Diketofusidic acid
RN: 3482-38-0
InChIKey: NLRZOLNLGXHZPV-FIPZVDMCSA-N

Molecular Formula

  • C31-H44-O6

Molecular Weight

  • 512.6826
 
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Names and Synonyms

Name of Substance

  • 3,11-Diketofusidic acid

Systematic Name

  • 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dioxo-, (4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-

Registry Numbers

CAS Registry Number

  • 3482-38-0

System Generated Number

  • 0003482380

Structure Descriptors

InChI

1S/C31H44O6/c1-7-26(34)37-25-16-31(6)21-12-11-20-18(4)23(32)13-14-30(20,5)28(21)24(33)15-22(31)27(25)19(29(35)36)10-8-9-17(2)3/h9,18,20-22,25,28H,7-8,10-16H2,1-6H3,(H,35,36)/b27-19-/t18-,20?,21-,22-,25-,28-,30-,31+/m0/s1

InChIKey

NLRZOLNLGXHZPV-FIPZVDMCSA-N

Smiles

CCC(=O)O[C@H]\1C[C@@]2([C@H]3CCC4[C@@H](C(=O)CC[C@@]4([C@@H]3C(=O)C[C@H]2/C1=C(\CCC=C(C)C)/C(=O)O)C)C)C