Spektraris NMR
(12E)-14,15-Dihydroxylabda-8(20),12-dien-16-al
Common Name: (12E)-14,15-Dihydroxylabda-8(20),12-dien-16-al
Synonyms: (12E)-14,15-Dihydroxylabda-8(20),12-dien-16-al
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14-6-9-18-19(2,3)10-5-11-20(18,4)16(14)8-7-15(12-21)17(23)13-22/h7,12,16-18,22-23H,1,5-6,8-11,13H2,2-4H3/b15-7-/t16-,17?,18-,20+/m0/s1
InChIKey: InChIKey=YKUBJKXDFHYMRG-ZMUAHZHUSA-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) | 39.3 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.7 |
| 10 (C) | 39.6 |
| 11 (CH2) | 24.5 |
| 12 (CH) | 161.2 |
| 13 (C) | 139.6 |
| 14 (CH) | 70.3 |
| 15 (CH2) | 65.4 |
| 16 (CH) | 196.8 |
| 17 (CH2) | 108.3 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.5 |
