Crivelline
(1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
Also Known As: Crivelline|3-Epitazettine|Sekisanolin|tazettine,(3|A)-|(3alpha)-tazettine|Tazettine, (3alpha)-|Tazettine, (3.alpha.)-|Tazettine, (3alpha)- (9CI)|NCI60_041957|(1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol|(3R,4abeta,6aalpha,13bS)-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol|(3R,4aS,6aS,13bS)-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14197 g/mol |
| LogP | 1.16 |
| Topological Polar Surface Area | 60.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 734.4 |
Chemical Identifiers
| CAS Number | 545-16-4 |
|---|---|
| SMILES | CN1C[C@@]2([C@]3([C@@H]1C[C@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O |
Product Overview
Crivelline (CAS 545-16-4), with molecular formula C18H21NO5 and molecular weight 331.14197 g/mol. IUPAC: (1S,13S,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol.
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