| Name |
Vaccaroside H |
| Formula |
C65H102O32 |
| Mw |
1394.63542117 |
| CAS RN |
211508-54-2 |
| C_ID |
C00044371
, 
|
| InChIKey |
SBIZKNGXUXXQOW-OETYMZIINA-N |
| InChICode |
InChI=1S/C65H102O32/c1-24-46(92-53-42(77)35(70)29(69)23-85-53)41(76)45(80)54(86-24)96-51-50(95-55-43(78)37(72)31(22-67)90-55)47(88-26(3)68)25(2)87-58(51)97-59(83)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-34(64(9,84)33(61)12-15-63(32,8)62(27,7)17-19-65)91-57-49(40(75)39(74)48(93-57)52(81)82)94-56-44(79)38(73)36(71)30(21-66)89-56/h10,24-25,28-51,53-58,66-67,69-80,84H,11-23H2,1-9H3,(H,81,82)/t24-,25+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50-,51+,53-,54-,55-,56-,57+,58-,61+,62+,63+,64-,65-/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1CC[C@]2([C@H]([C@]1(C)O)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[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)O)C)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)C)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Vaccaria segetalis  | Ref. |
|
|
zoom in
|
