| Name |
Vaccegoside C |
| Formula |
C87H138O49 |
| Mw |
1966.83067089 |
| CAS RN |
53123-90-3 |
| C_ID |
C00040611
, 
|
| InChIKey |
XHGOGDJQYPUDDM-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C87H138O49/c1-28-42(95)48(101)55(108)74(120-28)129-64-35(94)26-119-73(60(64)113)127-62-29(2)121-75(59(112)52(62)105)130-65-61(114)79(122-30(3)63(65)128-76-56(109)49(102)45(98)36(21-88)123-76)136-81(116)87-18-16-82(4,5)20-32(87)31-10-11-40-83(6)14-13-41(84(7,27-91)39(83)12-15-86(40,9)85(31,8)17-19-87)126-80-69(134-78-58(111)51(104)47(100)38(23-90)125-78)67(132-77-57(110)50(103)46(99)37(22-89)124-77)66(131-71-53(106)43(96)33(92)24-117-71)68(133-80)70(115)135-72-54(107)44(97)34(93)25-118-72/h10,27-30,32-69,71-80,88-90,92-114H,11-26H2,1-9H3/t28-,29+,30+,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-,59+,60+,61+,62-,63+,64-,65-,66+,67-,68+,69+,71+,72-,73-,74-,75-,76+,77-,78+,79-,80+,83-,84+,85-,86-,87+/m0/s1 |
| SMILES |
C1[C@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@](CC2)([C@@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)O)O)O)O)C)O)C)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C(=O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O[C@H]1OC[C@H]([C@@H]([C@@H]1O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Vaccaria segetalis  | Ref. |
|
|
zoom in
| Organism | Vaccaria segetalis |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
