| Name |
Mi-saponin B |
| Formula |
C63H102O31 |
| Mw |
1354.64050655 |
| CAS RN |
54328-43-7 |
| C_ID |
C00046827
, 
|
| InChIKey |
CSVOJBHLRRLOJX-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C63H102O31/c1-24-34(71)37(74)39(76)51(86-24)90-44-31(70)20-83-50(41(44)78)89-43-25(2)87-53(42(79)45(43)91-55-48(80)63(82,22-66)23-85-55)92-46-35(72)30(69)19-84-54(46)94-56(81)62-13-11-57(3,4)15-27(62)26-9-10-33-58(5)16-29(68)49(93-52-40(77)38(75)36(73)32(18-64)88-52)59(6,21-65)47(58)28(67)17-61(33,8)60(26,7)12-14-62/h9,24-25,27-55,64-80,82H,10-23H2,1-8H3/t24-,25+,27+,28-,29+,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42+,43+,44+,45-,46+,47+,48+,49+,50-,51+,52-,53-,54+,55-,58+,59+,60+,61-,62+,63-/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H](C[C@]2([C@H]([C@@]1(C)CO)[C@H](C[C@]1([C@@H]2CC=C2[C@]1(CC[C@]1([C@@H]2CC(CC1)(C)C)C(=O)O[C@H]1OC[C@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@@H]1OC[C@]([C@@H]1O)(CO)O)O)O)O)C)C)O)C)O)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapotaceae | Madhuca longifolia  | Ref. |
|
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