[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-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,13R,16R,17R)-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
| Molecular Formula | C28H37NO8 |
|---|---|
| Molecular Weight | 515.6 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 127.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.2519 |
| Heavy Atoms | 37 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 70695-02-2 |
|---|---|
| SMILES | CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)C |
| InChIKey | YEUSSARNQQYBKH-UYFAJJFVSA-N |
📖 Product Overview
[(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-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 (CAS: 70695-02-2) is a chemical compound with molecular formula C28H37NO8 and molecular weight 515.6 g/mol. Its IUPAC systematic name is [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-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.
YEUSSARNQQYBKH-UYFAJJFVSA-N.
SMILES: CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)C.
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Technical Blog Article
Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(1S,3R,4R,5R,6R,7S,8R,11S,13R,16R,17R)-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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