| Name |
Scabiosaponin H
(-)-Scabiosaponin H |
| Formula |
C65H106O32 |
| Mw |
1398.66672129 |
| CAS RN |
689257-68-9 |
| C_ID |
C00043901
, 
|
| InChIKey |
JLCCCJIGHPZGMX-UFADCRODNA-N |
| InChICode |
InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/t24-,25+,27-,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+/m1/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Scabiosa tschiliensis | Ref. |
|
|
zoom in
|
