Ganoderic Acid Beta
Basic information
- CAS
217476-76-1- Standard SMILES
C/C(=C\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O- InChIKey
NJZMSAAKSXZIEC-UQOIKQOMSA-N- Molecular formula
- C30H44O6
- Average molar mass
- 500.7 g/mol
- Monoisotopic mass
- 500.31378912
Overview
Ganoderic acid beta is a triterpenoid.
Names & identifiers
- Preferred name
- Ganoderic Acid Beta
- IUPAC
- (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
- English name
- Lanosta-8,24-dien-26-oic acid, 3,7-dihydroxy-11,15-dioxo-, (3β,7β,24E)-
- Molecular formula
- C30H44O6
- Molecular weight
- 500.68
Names & synonyms
Ganoderic acid betaLanosta-8,24-dien-26-oic acid, 3,7-dihydroxy-11,15-dioxo-, (3beta,7beta,24E)-(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(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 acidRefChem:142455217476-76-1CHEMBL474065orb1697119SCHEMBL29935070CHEBI:168379DTXSID501166400AKOS040751892
Show more names
Lanosta-8,24-dien-26-oic acid, 3,7-dihydroxy-11,15-dioxo-, (3β,7β,24E)-
T31909(24E)-3beta,7beta-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid3beta,7beta-dihydroxy-11,15-dioxolanosta-8,24(E)-dien-26-oic acid(3I(2),7I(2),24E)-3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 670.8 · 670.8±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 5 · 5.00±0.19(Predicted)
Chemistry & industry
Applications
DescriptionGanoderic acid beta is a new constituent from the fruiting body of Ganoderma lucidum (Fr.) Karst].
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Related reactions
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Compound notes
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