| Name |
Sinocrassuloside XI |
| Formula |
C72H112O38 |
| Mw |
1584.68315922 |
| CAS RN |
299184-64-8 |
| C_ID |
C00058072
|
| InChIKey |
OWVXRCQFFFWXGZ-ZPJDWQKESA-N |
| InChICode |
InChI=1S/C72H112O38/c1-25-51(104-59-45(87)38(80)30(77)22-96-59)44(86)49(91)61(98-25)109-57-55(107-62-47(89)42(84)40(82)32(20-73)101-62)52(100-27(3)76)26(2)99-64(57)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-56(108-63-48(90)43(85)41(83)33(21-74)102-63)53(50(92)54(106-65)58(93)94)105-60-46(88)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)/t25-,26+,29-,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56+,57+,59-,60-,61-,62-,63-,64-,65?,68-,69-,70+,71+,72+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)O[C@@H]1C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Quillajaceae | Quillaja saponaria  | Ref. |
|
|
zoom in
| Organism | Quillaja saponaria |
|---|
| Reference | Bilham, P. et al., JCS, 1940, 1469-1477
1941, , 552-554 (struct) |
|---|
|
