Spektraris NMR
3-Oxo-7,13E-labdadien-15-ol
Common Name: 3-Oxo-7,13E-labdadien-15-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h7,11,16-17,21H,6,8-10,12-13H2,1-5H3/b14-11+/t16-,17-,20+/m0/s1
InChIKey: InChIKey=VNVXCWYCEXXIIF-VKUAFDQRSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Oliva, I.M., Garrido, N.M., Hagget, J., Humphreys, V.M. Phytochemistry (1995) 38, 663-6
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) | 38 |
| 2 (CH2) | 34.6 |
| 3 (C) | 216 |
| 4 (C) | 47.4 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 122.1 |
| 8 (C) | 135.3 |
| 9 (CH) | 53.7 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 41.8 |
| 13 (C) | 139.6 |
| 14 (CH) | 124 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 25.2 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 13.4 |
