| Name |
beta-Hederin |
| Formula |
C41H66O11 |
| Mw |
734.46051295 |
| CAS RN |
35790-95-5 |
| C_ID |
C00003529
, 
|
| InChIKey |
IBAJNOZMACNWJD-ZXCWSSDMNA-N |
| InChICode |
InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23+,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34-,38+,39-,40-,41+/m1/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(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Hedera helix  | Ref. |
|
|
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