Spektraris NMR
7b,13S-Dihydroxylabda-8(17),14-dien-19-oic acid
Common Name: 7b,13S-Dihydroxylabda-8(17),14-dien-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-6-18(3,24)11-8-14-13(2)15(21)12-16-19(14,4)9-7-10-20(16,5)17(22)23/h6,14-16,21,24H,1-2,7-12H2,3-5H3,(H,22,23)/t14-,15-,16+,18-,19+,20-/m0/s1
InChIKey: InChIKey=GFRCOBMEGVLODY-XLQBFBSWSA-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) | 40.8 |
| 2 (CH2) | 21.7 |
| 3 (CH2) | 39.9 |
| 4 (C) | 45.3 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 75.3 |
| 8 (C) | 151.5 |
| 9 (CH) | 52 |
| 10 (C) | 42.2 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 42.6 |
| 13 (C) | 74.8 |
| 14 (CH) | 146.9 |
| 15 (CH2) | 112.5 |
| 16 (CH3) | 28.4 |
| 17 (CH2) | 110 |
| 18 (CH3) | 29.9 |
| 19 (C) | 182.1 |
| 20 (CH3) | 12.9 |
