Methyl 4-(7,12-dihydroxy-3-{2-[2-(4-hydroxyphenyl)acetylamino]ethoxy}-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Basic information
- Standard SMILES
COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OCCNC(=O)Cc5ccc(O)cc5)CCC4(C)C3CC(O)C12C- InChIKey
JFLDEYNILGSVOS-UHFFFAOYSA-N- Molecular formula
- C35H53NO7
- Average molar mass
- 599.8 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(7,12-dihydroxy-3-{2-[2-(4-hydroxyphenyl)acetylamino]ethoxy}-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
- IUPAC
- methyl 4-[7,12-dihydroxy-3-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Names & synonyms
SCHEMBL6263880JFLDEYNILGSVOS-UHFFFAOYSA-NMethyl 4-(7,12-dihydroxy-3-{2-[2-(4-hydroxyphenyl)acetylamino]ethoxy}-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Database identifiers
- PubChem CID
- 69725262
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 968
Related reactions
1 records
Compound notes
Loading…