| Name |
Hederacolchiside F
Pulsatilla saponin H |
| Formula |
C65H106O31 |
| Mw |
1382.67180667 |
| CAS RN |
68027-14-5 |
| C_ID |
C00031848
, 
|
| InChIKey |
OTQUUEGQKWTQTA-ZSICKATHNA-N |
| InChICode |
InChI=1S/C65H106O31/c1-25-36(69)41(74)46(79)54(87-25)94-51-30(21-67)90-53(50(83)45(51)78)85-22-31-39(72)44(77)49(82)57(91-31)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)93-58-52(95-55-47(80)42(75)37(70)26(2)88-55)40(73)32(23-86-58)92-56-48(81)43(76)38(71)29(20-66)89-56/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,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+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)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 | Araliaceae | Hedera pastuchowii | Ref. |
|
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