| Name |
Centellasaponin C
(+)-Centellasaponin C |
| Formula |
C48H78O19 |
| Mw |
958.51373031 |
| CAS RN |
386223-76-3 |
| C_ID |
C00032806
, 
|
| InChIKey |
SOOVZDUBVGGAAJ-FEHUIJAANA-N |
| InChICode |
InChI=1S/C48H78O19/c1-19-11-12-48(14-13-46(7)22(28(48)20(19)2)9-10-27-45(6)15-24(51)39(60)44(4,5)38(45)23(50)16-47(27,46)8)43(61)67-42-35(58)32(55)30(53)26(65-42)18-62-40-36(59)33(56)37(25(17-49)64-40)66-41-34(57)31(54)29(52)21(3)63-41/h9,19-21,23-42,49-60H,10-18H2,1-8H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42+,45-,46-,47-,48+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Centella asiatica (L.) URBAN  | Ref. |
|
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