N-Methyl hernangerin
(12S)-18-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
Also Known As: N-Methylnandigerine|N-Methyl hernangerin|methoxy(methyl)[?]ol|(+)-N-Methylnandigerine|(12S)-18-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol|(7aS)-6,7,7aalpha,8-Tetrahydro-12-methoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-11-ol|(7aS)-7-Methyl-12-methoxy-6,7,7aalpha,8-tetrahydro-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-11-ol|5H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-11-ol, 6,7,7a,8-tetrahydro-12-methoxy-7-methyl-, (7aS)-
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.1314 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Monoisotopic Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 5544-68-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)O)OC)OCO3 |
| InChIKey | WOIZHRXESCUSGM-LBPRGKRZSA-N |
Product Overview
N-Methyl hernangerin (CAS 5544-68-3), with molecular formula C19H19NO4 and molecular weight 325.1314 g/mol. IUPAC: (12S)-18-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol.
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