| 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. |
|
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