Gambogic acid 100mg

CAT: 0628-A11988-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11988-100Size:100 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 Number	2752-65-0
PubChem CID	9852185
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 Formula	C38H44O8
Molecular Weight	628.7
XLogP	7.3
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	46
Formal Charge	0
Complexity	1490

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

CAS: 2752-65-0

CID: 9852185

Formula: C38H44O8

MW: 628.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	628.7
XLogP3	7.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	628.30361836
Monoisotopic Mass	628.30361836
Topological Polar Surface Area	119 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1490
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Gambogic acid 100mg

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