| Name |
Erythrodiol 3-caffeate |
| Formula |
C39H56O5 |
| Mw |
604.4127749 |
| CAS RN |
113493-20-2 |
| C_ID |
C00043492
, 
|
| InChIKey |
NPRKWCDSDHHADP-AEJVPYCGNA-N |
| InChICode |
InChI=1S/C39H56O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,27,30-32,40-42H,12,14-21,23-24H2,1-7H3/b13-9+/t27-,30-,31+,32-,36-,37+,38+,39+/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Maytenus ilicifolia  | Ref. |
|
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