nargenicin
[6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
Also Known As: nargenicin|Nargenicin A1|Nargenicin B1|NCI60_003196|[6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate|[(1S,3R,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-6-Hydroxy-16-[(1R)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate
| Molecular Formula | C28H37NO8 |
|---|---|
| Molecular Weight | 515.2519 g/mol |
| LogP | 2.4004 |
| Topological Polar Surface Area | 127.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.2519 |
| Monoisotopic Mass | 515.2519 |
| Heavy Atoms | 37 |
| Complexity | 1079.9402 |
Chemical Identifiers
| CAS Number | 75923-01-2 |
|---|---|
| SMILES | CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)C |
Product Overview
nargenicin (CAS 75923-01-2), with molecular formula C28H37NO8 and molecular weight 515.2519 g/mol. IUPAC: [6-hydroxy-16-(1-hydroxyethyl)-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate.
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