Spektraris NMR
3β-Formyloxy-15-hydroxylabd-7-ene
Common Name: 3β-Formyloxy-15-hydroxylabd-7-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O3/c1-15(11-13-22)6-8-17-16(2)7-9-18-20(3,4)19(24-14-23)10-12-21(17,18)5/h7,14-15,17-19,22H,6,8-13H2,1-5H3/t15-,17+,18+,19+,21-/m1/s1
InChIKey: InChIKey=MCKJEXLKJSUILM-LRNAHUNVSA-N
Formula: C21H36O3
Molecular Weight: 336.509536
Exact Mass: 336.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodilla, J.M.L., De Mendonca, D.I.M., Urones, J.G., Moro, R.F. Phytochemistry (1998) 49, 817-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 37.2 |
| 2 (CH2) | 24 |
| 3 (CH) | 81.2 |
| 4 (C) | 37.4 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 22.2 |
| 7 (CH) | 121.6 |
| 8 (C) | 135.4 |
| 9 (CH) | 55.1 |
| 10 (C) | 36.5 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 39.5 |
| 13 (CH) | 30.4 |
| 14 (CH2) | 39.8 |
| 15 (CH2) | 61.2 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 13.6 |
| 3a (CH) | 161.2 |
