| Name |
Randiasaponin I
(+)-Randiasaponin I |
| Formula |
C41H61O14 |
| Mw |
777.40613166 |
| CAS RN |
28468-35-1 |
| C_ID |
C00037718
, 
|
| InChIKey |
KBEMMWJMTCSHBG-AOGJVNRCNA-N |
| InChICode |
InChI=1S/C41H64O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,22-34,42-49,51H,1,8-19H2,2-6H3/t22-,23+,24+,25+,26-,27-,28-,29-,30+,31+,32+,33-,34-,36-,37-,38+,39+,40+,41-/m0/s1 |
| SMILES |
C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(=C)[C@@]1(C)O)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Randia formosa | Ref. |
|
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