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Diosgenin palmitate 100mg

CAT: 0628-A22485-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A22485-100Size:100 mg
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CAS Number
4952-66-3

Chemical Information

Diosgenin palmitate

Diosgenin palmitate has been reported in Dioscorea collettii with data available.

CAS Number4952-66-3
PubChem CID21159048
IUPAC Name[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexadecanoate
Molecular FormulaC43H72O4
Molecular Weight653.0
XLogP13.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity1070
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C[C@H]5[C@@H]4[C@@H]([C@]6(O5)CC[C@H](CO6)C)C)C)C
InChI
InChI=1S/C43H72O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39(44)46-34-23-25-41(4)33(28-34)20-21-35-36(41)24-26-42(5)37(35)29-38-40(42)32(3)43(47-38)27-22-31(2)30-45-43/h20,31-32,34-38,40H,6-19,21-30H2,1-5H3/t31-,32+,34+,35-,36+,37+,38+,40+,41+,42+,43-/m1/s1
InChIKey
UTLFPCHHNIPLBC-PUYSEAGNSA-N
Chemical Structure
2D Structure
2D structure of Diosgenin palmitate
CAS: 4952-66-3
CID: 21159048
Formula: C43H72O4
MW: 653.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight653.0
XLogP313.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass652.54306077
Monoisotopic Mass652.54306077
Topological Polar Surface Area44.8 Ų
Heavy Atom Count47
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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