5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol
Chemical Structure Depiction of
5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol
5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol
Compound characteristics
| Compound ID: | N036-0102 |
| Compound Name: | 5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol |
| Molecular Weight: | 608.74 |
| Molecular Formula: | C37 H40 N2 O6 |
| Smiles: | CN1CCc2cc(c3cc2C1Cc1ccc(c(c1)Oc1ccc(CC2c4cc(c(c(c4CCN2C)O3)O)OC)cc1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2923 |
| logD: | 2.7846 |
| logSw: | -5.3245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | CASHVZNATRNXDE-UHFFFAOYSA-N |