Basic information
- CAS
1291073-95-4- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(C(=O)Nc5ccc(N=Nc6ccccc6)cc5)CCC4(C)CCC23C)C1(C)C- InChIKey
FVLNZPLZBXQIAL-UHFFFAOYSA-N- Molecular formula
- C44H57N3O4
- Average molar mass
- 691.9 g/mol
- Monoisotopic mass
- 691.43490731
Names & identifiers
- Preferred name
- Olean-12-en-29-amide, 3-(acetyloxy)-11-oxo-N-[4-(phenylazo)phenyl]-
- IUPAC
- [4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(4-phenyldiazenylphenyl)carbamoyl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate
Names & synonyms
DTXSID701038348AKOS024274557Olean-12-en-29-amide, 3-(acetyloxy)-11-oxo-N-[4-(phenylazo)phenyl]-1291073-95-4ST0051861,2,6,6,10,17,20-heptamethyl-12-oxo-17-{N-[4-(phenyldiazenyl)phenyl]carbamoyl} pentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate
Database identifiers
- CAS
1291073-95-4- PubChem CID
- 3905784
- DTXSID
DTXSID701038348
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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