| Name |
Squarroside II |
| Formula |
C53H86O21 |
| Mw |
1058.56615981 |
| CAS RN |
288840-55-1 |
| C_ID |
C00033384
, 
|
| InChIKey |
PJJJZSMJLUFJIM-VVXQIVNJNA-N |
| InChICode |
InChI=1S/C53H86O21/c1-23-32(56)36(60)39(63)43(68-23)73-42-35(59)28(71-44-40(64)37(61)33(57)26(20-54)69-44)22-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)34(58)27(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,50-,51+,52+,53-/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]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Thalictrum squarrosum  | Ref. |
|
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