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Basic information
- CAS
5573-15-9- Standard SMILES
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(C(C)C)=C5CC[C@]43C)[C@H]2C1- InChIKey
KLDHTSBPVUVXQQ-SBSPXKCJSA-N- Molecular formula
- C31H46O3
- Average molar mass
- 466.706 g/mol
- Monoisotopic mass
- 466.34469533
Names & identifiers
- Preferred name
- Methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate
- IUPAC
- Methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-(propan-2-yl)-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-10-carboxylate
- English name
- (18α)-11-Oxo-A-neooleana-3(5),12-dien-30-oic acid methyl ester
- Molecular formula
- C31H46O3
- Molecular weight
- 466.7
Names & synonyms
(18α)-11-Oxo-A-neooleana-3(5),12-dien-30-oic acid methyl esterA-Neo-18α-oleana-3(5),12-dien-30-oic acid, 11-oxo-, methyl ester (7CI,8CI)
Database identifiers
- CAS
5573-15-9- PubChem CID
- 200052
- DTXSID
DTXSID80971108
Properties
Physicochemical properties
- Boiling point
- 537.6 · 537.6±50.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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