| Name |
Vaccaroside D
(-)-Vaccaroside D |
| Formula |
C54H86O25 |
| Mw |
1134.5458183 |
| CAS RN |
209862-98-6 |
| C_ID |
C00049026
, 
|
| InChIKey |
QCSJRNNSTFHPAZ-OMWDRCLLNA-N |
| InChICode |
InChI=1S/C54H86O25/c1-23(44(69)70)24-10-12-53(6)31(51(24,4)11-7-17-55)9-8-25-26-18-50(2,3)13-15-54(26,16-14-52(25,53)5)49(71)79-47-41(68)42(77-45-39(66)36(63)32(59)27(19-56)73-45)35(62)30(76-47)22-72-48-43(38(65)34(61)29(21-58)75-48)78-46-40(67)37(64)33(60)28(20-57)74-46/h8,24,26-43,45-48,55-68H,1,7,9-22H2,2-6H3,(H,69,70)/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,45-,46-,47-,48+,51+,52+,53+,54-/m0/s1 |
| SMILES |
C=C(C(=O)O)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCCO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Vaccaria segetalis  | Ref. |
|
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