| Name |
Thevetin A |
| Formula |
C42H64O19 |
| Mw |
872.40417987 |
| CAS RN |
37933-66-7 |
| C_ID |
C00003639
, 
|
| InChIKey |
WPNLWBRKPZXVGD-VGTAWZMHNA-N |
| InChICode |
InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20-,21+,22-,23+,24-,25-,26-,28+,29+,30+,31+,32-,33-,34-,35+,36+,37-,38+,39-,40-,41-,42+/m1/s1 |
| SMILES |
COC1C(O)[C@H](O[C@H]2CC[C@@]3(C=O)C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)OC(C)[C@@H]1O[C@@H]1OC(CO[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Cerbera odollam | Ref. |
| Plantae | Apocynaceae | Thevetia neriifolia | Ref. |
|
|
zoom in
| Organism | Cerbera odollam |
|---|
| Reference | Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).
Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998) |
|---|
|
