| Name |
Squarroside IV
(-)-Squarroside IV |
| Formula |
C59H96O26 |
| Mw |
1220.61898324 |
| CAS RN |
288840-57-3 |
| C_ID |
C00033386
, 
|
| InChIKey |
BFDCYJDSZVTVGO-SRMXNFHBNA-N |
| InChICode |
InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)36(65)28(21-61)79-49)45(74)51(77-24)84-47-38(67)30(81-48-42(71)39(68)35(64)27(20-60)78-48)23-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)37(66)29(22-62)80-50/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2C(O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Thalictrum squarrosum  | Ref. |
|
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