Maprounic acid B805169K075
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Basic information
- CAS
29099-34-1- Standard SMILES
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C(=O)O- InChIKey
ILWJAAYKRXLBKO-XZFGAUOCSA-N- Molecular formula
- C30H48O3
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.36034539
Overview
Maprounic acid B805169K075 has been reported in Maprounea africana and Evolvulus nummularius with data available.
Names & identifiers
- Preferred name
- Maprounic acid B805169K075
- IUPAC
- (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid
- English name
- (4aS,6aS,6bR,8aS,10S,12aS,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-hep tamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a- carboxylic acid
- Molecular formula
- C30H48O3
- Molecular weight
- 0
Names & synonyms
MAPROUNIC ACID B805169K075NSC359426NSC-359426maprounic acid(4aS,6aS,6bR,8aS,10S,12aS,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-hep tamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a- carboxylic acid
Database identifiers
- CAS
29099-34-1- PubChem CID
- 338181
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 874
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Compound notes
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