| Name |
Lup-20(29)en-28-al-3beta-yl caffeate
(+)-Lup-20(29)en-28-al-3beta-yl caffeate |
| Formula |
C39H54O5 |
| Mw |
602.39712483 |
| CAS RN |
244203-72-3 |
| C_ID |
C00039663
, 
|
| InChIKey |
GRALPKTVLYGKSY-HJXQZQOMNA-N |
| InChICode |
InChI=1S/C39H54O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22-23,26-27,30-32,34,41-42H,1,10,12,14-21H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34-,36+,37+,38+,39+/m0/s1 |
| SMILES |
[C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@]1(CC[C@@H](C3(C)C)OC(=O)/C=C/c1ccc(c(c1)O)O)C)C)C)(CC[C@H]2C(=C)C)C=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Celastrus stehanotifolius | Ref. |
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