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Gambogenic acid 50mg

CAT: 0628-A22383-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22383-50Size:50 mg
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CAS Number
173932-75-7

Chemical Information

Gambogenic Acid

Gambogenic Acid has been reported in Garcinia hanburyi with data available.

CAS Number173932-75-7
PubChem CID10794070
IUPAC Name(Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid
Molecular FormulaC38H46O8
Molecular Weight630.8
XLogP7.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1440
SMILES
CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C3=C[C@@H]4C[C@@H]5[C@@]3(O2)[C@](C4=O)(OC5(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)O)/C)C
InChI
InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1
InChIKey
RCWNBHCZYXWDOV-VSFMGBBVSA-N
Chemical Structure
2D Structure
2D structure of Gambogenic Acid
CAS: 173932-75-7
CID: 10794070
Formula: C38H46O8
MW: 630.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.8
XLogP37.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass630.31926842
Monoisotopic Mass630.31926842
Topological Polar Surface Area130 Ų
Heavy Atom Count46
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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