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Ganoderic acid I

CAT: 0013-GTR19279632-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279632-01Size:1 mg
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Description
Ganoderic acid I is a natural product from Ganoderma lucidum .
CAS Number
98665-20-4
Smiles
[H][C@]1 (CC (=O) [C@@]2 (C) C3=C (C (=O) C[C@]12C) [C@@]1 (C) CC[C@H] (O) C (C) (C) [C@]1 ([H]) C[C@@H]3O) [C@@] (C) (O) CC (=O) C[C@@H] (C) C (O) =O
Molecular Formula
C30H44O8
Molecular Weight
532.674
Notes
For research use only.

Chemical Information

(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
CAS Number98665-20-4
PubChem CID156595229
IUPAC Name(2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
Molecular FormulaC30H44O8
Molecular Weight532.7
XLogP1
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1120
SMILES
C[C@H](CC(=O)C[C@@](C)([C@@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C(=O)O
InChI
InChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)/t15-,17+,19+,20-,21+,27+,28-,29+,30+/m1/s1
InChIKey
ZWMMEKXOLCCKLA-OCYWOBKISA-N
Chemical Structure
2D Structure
2D structure of (2R,6S)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
CAS: 98665-20-4
CID: 156595229
Formula: C30H44O8
MW: 532.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.7
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.30361836
Monoisotopic Mass532.30361836
Topological Polar Surface Area149 Ų
Heavy Atom Count38
Formal Charge0
Complexity1120
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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