Name |
Saikosaponin d |
Formula |
C42H68O13 |
Mw |
780.46599226 |
CAS RN |
20874-52-6 |
C_ID |
C00040182
,
|
InChIKey |
KYWSCMDFVARMPN-HPWGZGDZNA-N |
InChICode |
InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-,35+,37+,38+,39-,40+,41-,42+/m1/s1 |
SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3(C=C1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)CO3)C)C)C)(C)CO)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apiaceae | Bupleurum falcatum L. | Ref. |
Plantae | Apiaceae | Heteromorpha spp. | Ref. |
Plantae | Scrophulariaceae | Scrophularia scorodonia | Ref. |
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