Spektraris NMR
12ε,15-Dihydroxylabda-8(17)-13E-dien-16-al
Common Name: 12ε,15-Dihydroxylabda-8(17)-13E-dien-16-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17(23)15(13-22)8-11-21/h8,13,16-18,21,23H,1,5-7,9-12H2,2-4H3/b15-8+/t16-,17+,18-,20+/m0/s1
InChIKey: InChIKey=BHXCSUCHIUZBFZ-ZOWFOJILSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sy, L.K., Brown, G.D. J Nat Prod (1997) 60, 904-8
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) | 38.9 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.7 |
| 9 (CH) | 53.5 |
| 10 (C) | 39.6 |
| 11 (CH2) | 30.5 |
| 12 (CH) | 68.1 |
| 13 (C) | 143.1 |
| 14 (CH) | 154.2 |
| 15 (CH2) | 59.5 |
| 16 (CH) | 195.5 |
| 17 (CH2) | 107.2 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.6 |
