| Name |
Jegosaponin D
(-)-Jegosaponin D |
| Formula |
C62H98O27 |
| Mw |
1274.62954793 |
| CAS RN |
290809-70-0 |
| C_ID |
C00033085
, 
|
| InChIKey |
UHZXCEMVIMFRAD-OFAGYLBINA-N |
| InChICode |
InChI=1S/C62H98O27/c1-11-12-13-14-36(67)85-51-50(77)62(25-80-27(3)65)29(21-57(51,4)5)28-15-16-33-59(8)19-18-35(58(6,7)32(59)17-20-60(33,9)61(28,10)22-34(62)66)84-56-49(89-54-44(75)41(72)38(69)30(23-63)82-54)46(45(76)47(87-56)52(78)79)86-55-48(42(73)39(70)31(24-64)83-55)88-53-43(74)40(71)37(68)26(2)81-53/h13-15,26,29-35,37-51,53-56,63-64,66,68-77H,11-12,16-25H2,1-10H3,(H,78,79)/b14-13-/t26-,29-,30+,31+,32-,33+,34+,35-,37-,38+,39-,40+,41-,42-,43+,44+,45-,46-,47-,48+,49+,50-,51-,53-,54-,55-,56+,59-,60+,61+,62-/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)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)CO)O[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)O)CO)O)C(=O)O)C)C)COC(=O)C)O)OC(=O)/C=C\CCC)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Styracaceae | Styrax japonica SIEB.et ZUCC. | Ref. |
|
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