1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
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-ethyl-4-methyl-1H-pyrrole-3-carboxylate
Also Known As: AC1L1MP2|1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate|1-[(5aR,7aR,9S,11aS,12R)-9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C32H44N2O6 |
|---|---|
| Molecular Weight | 552.31995 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 104.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.31995 |
| Heavy Atoms | 40 |
| Complexity | 1318.2 |
Chemical Identifiers
| CAS Number | 23509-17-3 |
|---|---|
| SMILES | CCC1=C(C(=CN1)C)C(=O)OC(C)C2=CC[C@@]34C2(C[C@H](C56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C |
Product Overview
1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CAS 23509-17-3), with molecular formula C32H44N2O6 and molecular weight 552.31995 g/mol. IUPAC: 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-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
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