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Ganoderic acid A

CAT: 1407-AB0195Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0195Size:20 mg
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CAS Number
81907-62-2
Purity
98% (HPLC)
Molecular Formula
C30H44O7
Molecular Weight
516.675

Chemical Information

Ganoderic Acid A

Ganoderic acid A is a triterpenoid.

CAS Number81907-62-2
PubChem CID471002
IUPAC Name(2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP2.2
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1070
SMILES
C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O
InChI
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1
InChIKey
DYOKDAQBNHPJFD-JNTBEZBXSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid A
CAS: 81907-62-2
CID: 471002
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area129 Ų
Heavy Atom Count37
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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