11-Hydroxycephalotaxine
(2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
Also Known As: 11-Hydroxycephalotaxine|Alkaloid B|11-Hydroxycephalotaxin|11alpha-Hydroxycephalotaxine|Cephalotaxine, 15-hydroxy-|15-Hydroxycephalotaxine|11|A-hydroxycephalotaxine|Cephalotaxine, (11.alpha.)-|CEPHALOTAXINE,11-HYDROXY|Cephalotaxine, 11-hydroxy-, (11alpha)-|Cephalotaxine, 11-hydroxy-, (11.alpha.)-|(2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol|(1S,3aR)-1,5,6,8,9,14bbeta-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-1alpha,9alpha-diol|(2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo(11.7.0.02,6.06,10.015,19)icosa-1(20),4,13,15(19)-tetraene-3,12-diol
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14197 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.14197 |
| Monoisotopic Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 6937-67-3 |
|---|---|
| SMILES | COC1=C[C@]23CCCN2C[C@@H](C4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5)O |
| InChIKey | SZCHXNLVRKQEGO-XKDXWZMYSA-N |
Product Overview
11-Hydroxycephalotaxine (CAS 6937-67-3), with molecular formula C18H21NO5 and molecular weight 331.14197 g/mol. IUPAC: (2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol.
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