Isochondrodendrine
(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol
Also Known As: Isochondrodendrine|Isochondodendrine|Isobebeerine|Isobebeerin|Isochondodendrin|d-Isochondrodendrine|Isochondrodendrin|d-Isochondodendrine|(R,R)-Isochondodendrine|(+)-Isobebeerine|O7,O7'-Didemethylcycleanine|(+)-ISOCHONDRODENDRINE|Cycleanine,O7'-didemethyl-|Cycleanine, O7,O7'-didemethyl-|CHONDODENDRINE (D-ISO)|ISOCHONDRODENDRINE [MI]|(R,R)-ISOCHONDRODENDRINE|ISOCHONDRODENDRINE, (+)-|7-O,7 -O-Didemethylcycleanine|HY-N5017|O(sup 7),O(sup 7')-Didemethylcycleanine|Cycleanine, O(sup 7),O(sup 7')-didemethyl-|(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.273 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 |
| Monoisotopic Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 477-62-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC |
| InChIKey | XIOGHHPVBVXQIV-VSGBNLITSA-N |
Product Overview
Isochondrodendrine (CAS 477-62-3), with molecular formula C36H38N2O6 and molecular weight 594.273 g/mol. IUPAC: (11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol.