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Gambogic acid 50mg

CAT: 0628-A11988-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11988-50Size:50 mg
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CAS Number
2752-65-0

Chemical Information

Gambogic Acid

(-)-gambogic acid has been reported in Garcinia cowa and Garcinia hanburyi with data available.

CAS Number2752-65-0
PubChem CID9852185
IUPAC Name(Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
Molecular FormulaC38H44O8
Molecular Weight628.7
XLogP7.3
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1490
SMILES
CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C
InChI
InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
InChIKey
GEZHEQNLKAOMCA-RRZNCOCZSA-N
Chemical Structure
2D Structure
2D structure of Gambogic Acid
CAS: 2752-65-0
CID: 9852185
Formula: C38H44O8
MW: 628.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.7
XLogP37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass628.30361836
Monoisotopic Mass628.30361836
Topological Polar Surface Area119 Ų
Heavy Atom Count46
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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