Basic information
- Standard SMILES
CC(=NO)C1(C)CCC2C(C)(CCC3(C)C4CC(C)(C)CCC4(C)CCC23C)C1CC(=O)O- InChIKey
BJUKXKGQBWFISL-UHFFFAOYSA-N- Molecular formula
- C29H49NO3
- Average molar mass
- 459.7 g/mol
- Monoisotopic mass
- 459.37124443
Names & identifiers
- Preferred name
- 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]acetic acid
- IUPAC
- 2-[2-(N-hydroxy-C-methylcarbonimidoyl)-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl]acetic acid
Database identifiers
- PubChem CID
- 348024
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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