| Name |
Scillasaponin E
(-)-Scillasaponin E |
| Formula |
C58H92O27 |
| Mw |
1220.58259774 |
| CAS RN |
652153-80-5 |
| C_ID |
C00036211
, 
|
| InChIKey |
BHVCFFZDQVHQMT-FLHKZQFWNA-N |
| InChICode |
InChI=1S/C58H92O27/c1-23-16-57(84-47(23)73)17-24(2)58(85-57)15-14-55(6)27-8-9-32-53(4,26(27)10-13-56(55,58)7)12-11-33(54(32,5)22-60)80-50-43(72)40(69)37(66)31(79-50)21-76-51-45(36(65)29(62)20-75-51)82-52-46(83-49-42(71)39(68)34(63)25(3)77-49)44(38(67)30(18-59)78-52)81-48-41(70)35(64)28(61)19-74-48/h23-25,28-46,48-52,59-72H,8-22H2,1-7H3/t23-,24-,25+,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42-,43-,44+,45-,46-,48+,49+,50+,51-,52+,53-,54-,55+,56+,57+,58+/m1/s1 |
| SMILES |
C1[C@@H]([C@]([C@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@@]1(CC2)O[C@@]2(C[C@H]1C)OC(=O)[C@@H](C2)C)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1OC[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)CO)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hyacinthaceae | Muscari paradoxum | Ref. |
|
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