| Name |
Ocimol |
| Formula |
C39H56O6 |
| Mw |
620.40768952 |
| CAS RN |
942591-87-9 |
| C_ID |
C00057669
|
| InChIKey |
VAOWMWFEZLPVAY-ZGWBENQPSA-N |
| InChICode |
InChI=1S/C39H56O6/c1-23(2)25-14-19-39(34(42)45-27-12-10-24(33(41)44-9)22-28(27)43-8)21-20-37(6)26(32(25)39)11-13-30-36(5)17-16-31(40)35(3,4)29(36)15-18-38(30,37)7/h10,12,22,25-26,29-32,40H,1,11,13-21H2,2-9H3/t25-,26+,29-,30+,31-,32+,36-,37+,38+,39-/m0/s1 |
| SMILES |
O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC[C@@]4([H])[C@@]3(C)CC[C@]5(C(OC6=C(OC)C=C(C(OC)=O)C=C6)=O)[C@]4([H])[C@H](C(C)=C)CC5)([H])C1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ocimum basilicum  | Ref. |
|
|
zoom in
| Organism | Ocimum basilicum |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra,1992, 3, 594C (Betulinic acid, nmr) |
|---|
|
