Methyl (13Z)-7beta-hydroxy-14alpha-methyl-13-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}podocarpan-16-oate
Basic information
- CAS
36150-73-9- Standard SMILES
CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)OC)[C@H]1C- InChIKey
COAPCKUZMKOWBC-AOPLSDEGSA-N- Molecular formula
- C24H39NO5
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.28282334
Names & identifiers
- Preferred name
- Methyl (13Z)-7beta-hydroxy-14alpha-methyl-13-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}podocarpan-16-oate
- IUPAC
- methyl (1S,4aR,4bS,7Z,8R,8aS,9S,10aR)-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Names & synonyms
SCHEMBL309087Methyl (13Z)-7beta-hydroxy-14alpha-methyl-13-{2-[2-(methylamino)ethoxy]-2-oxoethylidene}podocarpan-16-oate
Database identifiers
- CAS
36150-73-9- PubChem CID
- 20054907
- DTXSID
DTXSID60878666
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
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Compound notes
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