| Name |
Sinocrassuloside III
(+)-Sinocrassuloside III |
| Formula |
C55H86O25 |
| Mw |
1146.5458183 |
| CAS RN |
724784-97-8 |
| C_ID |
C00032143
, 
|
| InChIKey |
IDOCSOXSHBGSHL-JGJQIVQNNA-N |
| InChICode |
InChI=1S/C55H86O25/c1-49(2)15-16-55(25(17-49)24-9-10-29-51(4)13-12-31(57)54(7,47(69)70)30(51)11-14-52(29,5)53(24,6)18-32(55)58)48(71)80-46-42(68)43(79-45-41(67)38(64)35(61)26(21-56)76-45)37(63)28(78-46)23-75-44-40(66)39(65)36(62)27(77-44)22-74-34(60)20-50(3,72)19-33(59)73-8/h9,25-32,35-46,56-58,61-68,72H,10-23H2,1-8H3,(H,69,70)/t25-,26+,27+,28+,29+,30+,31-,32+,35-,36-,37+,38-,39-,40+,41+,42+,43-,44+,45+,46-,50+,51+,52+,53+,54-,55+/m0/s1 |
| SMILES |
COC(=O)CC(C)(O)CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@H](O)[C@@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Crassulaceae | Sinocrassula asclepiadea FRANCH | Ref. |
|
|
zoom in
|
