Isoreserpine (-)-异利舍平
CAS 482-85-9 MFCD00075371
化学结构图
SMILES: COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
化学属性
| Mol. Formula | C33H40N2O9 |
|---|---|
| Mol. Weight | 608.68 |
| Melting Point | 148-155 °C |
| Boiling Point | 700.1±60.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Isoreserpine |
|---|---|
| MDL Number | MFCD00075371 |
| PubChem Substance ID | 5701996 |
| InChIKey | QEVHRUUCFGRFIF-VPHNHGCZSA-N |
| LabNetwork Molecule ID | LN01746322 |
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1 |
| CAS Number | 482-85-9 |
| Synonym | (-)-Isoreserpine {LY} (-)-Isoreserpine {} {LY} (-)-Isoreserpine {} {} {LY} (-)-Isoreserpine {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (-)-Isoreserpine |
| Chemical Name Translation | (-)-异利舍平 |
| Canonical SMILES | [H][C@]12C3=C(CCN1C[C@@]4([H])C[C@H]([C@@H]([C@H]([C@@]4([H])C2)C(OC)=O)OC)OC(C5=CC(OC)=C(C(OC)=C5)OC)=O)C(C=CC(OC)=C6)=C6N3 |
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