(16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
methyl 15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Also Known As: (16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium
CAS: 6801-39-4
| Molecular Formula | C22H27N2O3+ |
|---|---|
| Molecular Weight | 367.20218 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.20218 |
| Monoisotopic Mass | 367.20218 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 6801-39-4 |
|---|---|
| SMILES | CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC)C |
| InChIKey | HOIYLJHQHXMJGO-UHFFFAOYSA-N |
Product Overview
(16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium (CAS 6801-39-4), with molecular formula C22H27N2O3+ and molecular weight 367.20218 g/mol. IUPAC: methyl 15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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(16R)-17-Hydroxy-16-(methoxycarbonyl)-4alpha-methylsarpagan-4-ium is a custom synthesis product. We offer services from milligram to kilogram scale.
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