Spektraris NMR
(12Z,14S)-14,15-Dihydroxylabda-8(20),12-dien-19-oic acid
Common Name: (12Z,14S)-14,15-Dihydroxylabda-8(20),12-dien-19-oic acid
Synonyms: (12Z,14S)-14,15-Dihydroxylabda-8(20),12-dien-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h6,15-17,21-22H,1,5,7-12H2,2-4H3,(H,23,24)/b14-6-/t15-,16+,17+,19+,20-/m0/s1
InChIKey: InChIKey=WLFLBHYDHMQULZ-GXESHILCSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, Y.Z., Tang, C.P., Ke, C.Q., Weiss, H.C., Gesing, E.R., Ye, Y. Phytochemistry (2008) 69, 518-26
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) | 41.2 |
| 2 (CH2) | 21.7 |
| 3 (CH2) | 39.9 |
| 4 (C) | 45.8 |
| 5 (CH) | 58 |
| 6 (CH2) | 27.9 |
| 7 (CH2) | 40.3 |
| 8 (C) | 150.2 |
| 9 (CH) | 58.9 |
| 10 (C) | 41.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 130.8 |
| 13 (C) | 135.8 |
| 14 (CH) | 72 |
| 15 (CH2) | 65.8 |
| 16 (CH3) | 18.8 |
| 17 (CH2) | 108.3 |
| 18 (CH3) | 30.1 |
| 19 (C) | 182.3 |
| 20 (CH3) | 13.9 |
