ethyl (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
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Basic information
- CAS
1189555-95-0- Standard SMILES
CCOC(=O)[C@H](C)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=O- InChIKey
MOGCKMACSLYDKK-SVZODXANSA-N- Molecular formula
- C32H46O7
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.3243538
Overview
ethyl (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate has been reported in Ganoderma lucidum with data available.
Names & identifiers
- Preferred name
- ethyl (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
- IUPAC
- ethyl (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
- English name
- Ethyl ganoderate J
- Molecular formula
- C32H46O7
- Molecular weight
- 542.71
Names & synonyms
Ethyl ganoderate JLanost-8-en-26-oic acid, 15-hydroxy-3,7,11,23-tetraoxo-, ethyl ester, (3β,15α,25R)-
Database identifiers
- CAS
1189555-95-0- PubChem CID
- 124928648
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Boiling point
- 657.9 · 657.9±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 14.15 · 14.15±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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