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Ganoderic acid GS-3

CAT: 1410-M32489-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32489-02Size:5 mg
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Description
The fruit body of Ganoderma lucidum.
CAS Number
1206781-66-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
558.7
Molecular Formula
C32H46O8
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(E,6R)-6-[(3S,7S,10S,12S,13R,14R,17R)-12-acetyloxy-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]-2-methylhept-2-enoic acid
CAS Number1206781-66-9
PubChem CID168432650
IUPAC Name(E,6R)-6-[(3S,7S,10S,12S,13R,14R,17R)-12-acetyloxy-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]-2-methylhept-2-enoic acid
Molecular FormulaC32H46O8
Molecular Weight558.7
XLogP3.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1200
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](CC4[C@@]3(CC[C@@H](C4(C)C)O)C)O)OC(=O)C)C)C
InChI
InChI=1S/C32H46O8/c1-16(10-9-11-17(2)28(38)39)19-14-23(36)32(8)24-20(34)15-21-29(4,5)22(35)12-13-30(21,6)25(24)26(37)27(31(19,32)7)40-18(3)33/h11,16,19-22,27,34-35H,9-10,12-15H2,1-8H3,(H,38,39)/b17-11+/t16-,19-,20+,21?,22+,27-,30+,31+,32+/m1/s1
InChIKey
BVQKWBKBNWFWQI-MMEMLQKZSA-N
Chemical Structure
2D Structure
2D structure of (E,6R)-6-[(3S,7S,10S,12S,13R,14R,17R)-12-acetyloxy-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]-2-methylhept-2-enoic acid
CAS: 1206781-66-9
CID: 168432650
Formula: C32H46O8
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass558.31926842
Monoisotopic Mass558.31926842
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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