Basic information
- Standard SMILES
COCC1OC(=O)C(=CN(C)CCCC(=O)O)C2=C(O)C(=O)C3=C(C(OC(C)=O)CC4(C)C(O)CCC34)C21C- InChIKey
BRYZLAMDURDEJP-UHFFFAOYSA-N- Molecular formula
- C28H37NO10
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- 4-[(11-Acetoxy-6,17-dihydroxy-1-methoxymethyl-10,13-dimethyl-3,7-dioxo-1,7,10,11,12,13,14,15,16,17-decahydro-2-oxa-cyclopenta[a]phenanthren-4-ylidenemethyl)-methyl-amino]-butyric acid
- IUPAC
- 4-[[10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl-methylamino]butanoic acid
Names & synonyms
SCHEMBL3187143BRYZLAMDURDEJP-UHFFFAOYSA-N4-[(11-Acetoxy-6,17-dihydroxy-1-methoxymethyl-10,13-dimethyl-3,7-dioxo-1,7,10,11,12,13,14,15,16,17-decahydro-2-oxa-cyclopenta[a]phenanthren-4-ylidenemethyl)-methyl-amino]-butyric acid
Database identifiers
- PubChem CID
- 68542425
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
Loading…