Structure database (LMSD)

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LM IDLMPR0106040001
Common Name(-)-Fusidic acid (W)
Systematic Name(-)-16β-acetoxy-3α,11α-dihydroxyfusida-17(20)Z,24-diene-21-oic acid
Synonyms-
Exact Mass
516.3451 (neutral)    Calculate m/z:
FormulaC31H48O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Prostostane and fusidane triterpenoids [PR010604]
PubChem CID3000226
HMDB IDHMDB0015570
CHEBI ID29013
InChIKeyIECPWNUMDGFDKC-MZJAQBGESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H48O6/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/h9,18,21-25,27,33-34H,8,10-
16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
SMILESC1C[C@]2(C)[C@]3([H])[C@H](O)C[C@@]4([H])/C(=C(\CC/C=C(\C)/C)/C(=O)O)/[C@@H](OC(
C)=O)C[C@]4(C)[C@@]3(C)CC[C@@]2([H])[C@H](C)[C@@H]1O
MS Spectra-     
StatusActive
ReferencesBreitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.
Calculated physicochemical properties (?):
 Heavy Atoms37Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
537.60Topological Polar
Surface Area
104.06Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP6.53Molar
Refractivity
144.09