| Name |
Jegosaponin B
(-)-Jegosaponin B |
| Formula |
C61H96O27 |
| Mw |
1260.61389786 |
| CAS RN |
290809-68-6 |
| C_ID |
C00033083
, 
|
| InChIKey |
VMKUMEASJQMSCV-PFTUTMHGNA-N |
| InChICode |
InChI=1S/C61H96O27/c1-12-24(2)51(78)88-49-48(75)61(23-79-26(4)64)28(19-56(49,5)6)27-13-14-32-58(9)17-16-34(57(7,8)31(58)15-18-59(32,10)60(27,11)20-33(61)65)83-55-47(87-53-42(73)39(70)36(67)29(21-62)81-53)44(43(74)45(85-55)50(76)77)84-54-46(40(71)37(68)30(22-63)82-54)86-52-41(72)38(69)35(66)25(3)80-52/h12-13,25,28-49,52-55,62-63,65-75H,14-23H2,1-11H3,(H,76,77)/b24-12+/t25-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,58-,59+,60+,61-/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/C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Styracaceae | Styrax japonica SIEB.et ZUCC. | Ref. |
|
|
zoom in
| Organism | Styrax japonica SIEB.et ZUCC. |
|---|
| Reference | Yoshikawa,Chem.Pharm.Bull.,48,(2000),1093 |
|---|
|
