Basic information
- CAS
1253643-85-4- Standard SMILES
C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O- InChIKey
XRXBNTYHQXKSAO-WRRQQOFWSA-N- Molecular formula
- C30H44O6
- Average molar mass
- 500.7 g/mol
- Monoisotopic mass
- 500.31378912
Overview
Ganolucidic acid A is a triterpenoid.
Names & identifiers
- Preferred name
- (2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-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
- IUPAC
- (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-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
Names & synonyms
(2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-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(2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-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 acidRefChem:1049909Ganolucidic acid A98665-21-5Lanost-8-en-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (15alpha,25R)-15-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acidM4J768CY9DDTXSID30913139CHEBI:168397DA-63697H50774
Show more names
(15alpha,25R)-15-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acid(25R)-15alpha-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acidLanost-8-en-26-oic acid, 15-hydroxy-3,11,23-trioxo-, (15.alpha.,25R)-(2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-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-oxo-heptanoic acid1253643-85-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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