Spektraris NMR
(8S,13E)-8-Hydroxylabda-13-ene-15-al
Common Name: (8S,13E)-8-Hydroxylabda-13-ene-15-al
Synonyms: (8S,13E)-8-Hydroxylabda-13-ene-15-al
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,14,16-17,22H,6-9,11-13H2,1-5H3/b15-10+/t16-,17+,19-,20-/m0/s1
InChIKey: InChIKey=MGQCJMAMKIFKOH-FECRCKMQSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - van Wyk, A.W.W., Davies-Coleman, M.T. Tetrahedron (2007) 63, 12179-84
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) | 39.3 |
| 2 (CH2) | 18.61 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.4 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.62 |
| 7 (CH2) | 42.6 |
| 8 (C) | 72.4 |
| 9 (CH) | 58.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 44.4 |
| 13 (C) | 162.1 |
| 14 (CH) | 127.3 |
| 15 (CH) | 190 |
| 16 (CH3) | 17 |
| 17 (CH3) | 30.8 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 15.3 |
