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Sodium Fusidate EP Impurity L

CAT: 1596-AR-F02239-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F02239-01Size:50 Units
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CAS Number
74048-41-2
Synonyms
(3?,4?,8?,13?,14?,16?,17Z) -16- (Acetyloxy) -3-hydroxy-29-nordammara-9 (11),17 (20),24-trien-21-oic Acid; 9,11-Anhydrofusidic Acid; Fusidic Acid EP Impurity L;9,11-Anhydro Fusidic Acid
Molecular Formula
C31H46O5
Molecular Weight
498.71
API Name
Fusidic Acid

Chemical Information

9,11-Anhydro Fusidic Acid
CAS Number74048-41-2
PubChem CID127256182
IUPAC Name(2Z)-2-[(3R,4S,5S,8R,10S,13R,14S,16S)-16-acetyloxy-3-hydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
Molecular FormulaC31H46O5
Molecular Weight498.7
XLogP6.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity1020
SMILES
C[C@H]1[C@@H]2CC[C@]3(C(=CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)[C@]2(CC[C@H]1O)C)C
InChI
InChI=1S/C31H46O5/c1-18(2)9-8-10-21(28(34)35)27-23-11-12-26-29(5)15-14-24(33)19(3)22(29)13-16-30(26,6)31(23,7)17-25(27)36-20(4)32/h9,12,19,22-25,33H,8,10-11,13-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,29-,30-,31-/m0/s1
InChIKey
XLGDRQJDRPAHDF-KRMCRKKPSA-N
Chemical Structure
2D Structure
2D structure of 9,11-Anhydro Fusidic Acid
CAS: 74048-41-2
CID: 127256182
Formula: C31H46O5
MW: 498.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.7
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass498.33452456
Monoisotopic Mass498.33452456
Topological Polar Surface Area83.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes