| Name |
Obacunone 17-glucoside
Obacunone glucoside |
| Formula |
C32H42O13 |
| Mw |
634.26254143 |
| CAS RN |
123564-64-7 |
| C_ID |
C00056964
|
| InChIKey |
MXZVBPOYCKIXHN-FNBRAXOMSA-N |
| InChICode |
InChI=1S/C32H42O13/c1-28(2)18-12-19(34)31(5)17(29(18,3)9-7-20(35)44-28)6-10-30(4,32(31)25(45-32)26(39)40)24(15-8-11-41-14-15)43-27-23(38)22(37)21(36)16(13-33)42-27/h7-9,11,14,16-18,21-25,27,33,36-38H,6,10,12-13H2,1-5H3,(H,39,40)/t16-,17-,18+,21-,22+,23-,24+,25+,27+,29-,30+,31+,32-/m1/s1 |
| SMILES |
CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4ccoc4)[C@@]4(O[C@H]4C(=O)O)[C@]3(C)C(=O)C[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus sinensis  | Ref. |
| Plantae | Rutaceae | Citrus unshiu | Ref. |
|
|
zoom in
| Organism | Citrus unshiu |
|---|
| Reference | Barton, D.H.R. et al., JCS, 1961, 255-275 (Obacunone, struct) |
|---|
|
