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Ganoderic acid beta

CAT: 0931-T31909Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31909Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217476-76-1
Target
Others
Related Pathways
Others
Bioactivity
Ganoderic acid beta is a constituent from the fruiting body of Ganoderma lucidum (Fr.) Karst].
Smiles
C[C@]12C3=C([C@]4(C)[C@@](C[C@@H]3O)(C(C)(C)[C@@H](O)CC4)[H])C(=O)C[C@]1(C)[C@@]([C@@H](CC/C=C(/C(O)=O)\C)C)(CC2=O)[H]
Molecular Formula
C30H44O6
Molecular Weight
500.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ganoderic Acid Beta

Ganoderic acid beta is a triterpenoid.

CAS Number217476-76-1
PubChem CID10097521
IUPAC Name(E,6R)-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]-2-methylhept-2-enoic acid
Molecular FormulaC30H44O6
Molecular Weight500.7
XLogP3.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity1050
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)[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
InChI
InChI=1S/C30H44O6/c1-16(9-8-10-17(2)26(35)36)18-13-23(34)30(7)25-19(31)14-21-27(3,4)22(33)11-12-28(21,5)24(25)20(32)15-29(18,30)6/h10,16,18-19,21-22,31,33H,8-9,11-15H2,1-7H3,(H,35,36)/b17-10+/t16-,18-,19+,21+,22+,28+,29-,30+/m1/s1
InChIKey
NJZMSAAKSXZIEC-UQOIKQOMSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid Beta
CAS: 217476-76-1
CID: 10097521
Formula: C30H44O6
MW: 500.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.7
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass500.31378912
Monoisotopic Mass500.31378912
Topological Polar Surface Area112 Ų
Heavy Atom Count36
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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