12-Methoxypodocarpa-8,11,13-trien-15-imidic acid
Basic information
- CAS
21698-56-6- Standard SMILES
COc1ccc2c(c1)C1(C)CCCC(C)(C(N)=O)C1CC2- InChIKey
CTLQXRRFRLOZQO-UHFFFAOYSA-N- Molecular formula
- C18H25NO2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.18852904
Names & identifiers
- Preferred name
- 12-Methoxypodocarpa-8,11,13-trien-15-imidic acid
- IUPAC
- 6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
Names & synonyms
21698-56-6NSC10647812-Methoxypodocarpa-8,11,13-trien-15-imidic acidDTXSID40944313NSC-106478
Database identifiers
- CAS
21698-56-6- PubChem CID
- 267306
- DTXSID
DTXSID40944313
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
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Compound notes
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