| Name |
Scillascilloside E3 |
| Formula |
C60H96O29 |
| Mw |
1280.60372711 |
| CAS RN |
97400-14-1 |
| C_ID |
C00033372
, 
|
| InChIKey |
ONRIBELPYQJOKG-CDQKTKFFNA-N |
| InChICode |
InChI=1S/C60H96O29/c1-9-28(65)47-46(81-25(4)64)23(2)60(89-47)17-16-58(7)27-10-11-33-56(5,26(27)12-15-59(58,60)8)14-13-34(57(33,6)22-63)85-52-44(76)42(74)38(70)32(84-52)21-79-54-49(36(68)29(66)20-78-54)87-55-50(88-51-43(75)40(72)35(67)24(3)80-51)48(39(71)31(19-62)83-55)86-53-45(77)41(73)37(69)30(18-61)82-53/h23-24,29-55,61-63,66-77H,9-22H2,1-8H3/t23-,24+,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+,59+,60+/m1/s1 |
| SMILES |
C1[C@@H]([C@]([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@@]1(CC2)O[C@@H]([C@@H]([C@H]1C)OC(=O)C)C(=O)CC)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hyacinthaceae | Scilla scilloides | Ref. |
|
|
zoom in
| Organism | Scilla scilloides |
|---|
| Reference | Lee,Chem.Pharm.Bull.,50,(2002),1245 |
|---|
|
