| Name |
Coflotriol |
| Formula |
C30H50O3 |
| Mw |
458.37599546 |
| CAS RN |
26540-64-7 |
| C_ID |
C00054811
|
| InChIKey |
IHSVJVUGVFXDPE-WTNJYQGSSA-N |
| InChICode |
InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3/t21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| SMILES |
CC1(C)CC[C@@]2(CO)C(=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Calendula officinalis  | Ref. |
| Plantae | Asteraceae | Helianthus annuus | Ref. |
|
|
zoom in
| Organism | Helianthus annuus |
|---|
| Reference | Kubota, T. et al., Tetrahedron, 1967, 23, 3333 (synth) |
|---|
|
