BRN 1613384
1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C31H42N2O6 |
|---|---|
| Molecular Weight | 538.7 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.30426 |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 23756-88-9 |
|---|---|
| SMILES | CC1=CC(=C(N1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C |
| InChIKey | FEJYTCQEXYRBQW-NARMBRKISA-N |
📖 Product Overview
BRN 1613384 (CAS: 23756-88-9) is a chemical compound with molecular formula C31H42N2O6 and molecular weight 538.7 g/mol. Its IUPAC systematic name is 1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate.
FEJYTCQEXYRBQW-NARMBRKISA-N.
SMILES: CC1=CC(=C(N1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C.
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