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Gomisin G

CAT: 1410-M29611-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M29611-01Size:5 mg
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Description
Gomisin G is a natural compound and exhibits potent anti-HIV activity (EC50: 0.006 μg/mL; therapeutic index: 300) . It is a good substrate of CYP2C9.
CAS Number
62956-48-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
536.577
Molecular Formula
C30H32O9
Notes
Research use only, not for human use.
Receptor
P450

Chemical Information

Gomisin G

gomisin g has been reported in Kadsura interior, Schisandra sphenanthera, and other organisms with data available.

CAS Number62956-48-3
PubChem CID14992067
IUPAC Name[(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate
Molecular FormulaC30H32O9
Molecular Weight536.6
XLogP5
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity833
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC
InChI
InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
InChIKey
OFDWKHIQKPKRKY-DSASHONVSA-N
Chemical Structure
2D Structure
2D structure of Gomisin G
CAS: 62956-48-3
CID: 14992067
Formula: C30H32O9
MW: 536.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass536.20463259
Monoisotopic Mass536.20463259
Topological Polar Surface Area102 Ų
Heavy Atom Count39
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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