| Name |
Lupeol caffeate |
| Formula |
C39H56O4 |
| Mw |
588.41786028 |
| CAS RN |
171596-07-9 |
| C_ID |
C00031986
, 
|
| InChIKey |
NIKLINODNHPPMX-QKTBXMRTNA-N |
| InChICode |
InChI=1S/C39H56O4/c1-24(2)26-15-18-36(5)21-22-38(7)27(34(26)36)11-13-31-37(6)19-17-32(35(3,4)30(37)16-20-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-10,12,14,23,26-27,30-32,34,40-41H,1,11,13,15-22H2,2-8H3/b14-10+/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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Betulaceae | Betula ermani | Ref. |
| Plantae | Rhizophoraceae | Bruguiera parviflora  | Ref. |
|
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