Spektraris NMR
(12E)-3beta-Hydroxy-14,15-epoxylabda-8(20),12-dien-16-oic acid methyl ester
Common Name: (12E)-3beta-Hydroxy-14,15-epoxylabda-8(20),12-dien-16-oic acid methyl ester
Synonyms: (12E)-3beta-Hydroxy-14,15-epoxylabda-8(20),12-dien-16-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-13-6-9-17-20(2,3)18(22)10-11-21(17,4)15(13)8-7-14(16-12-25-16)19(23)24-5/h7,15-18,22H,1,6,8-12H2,2-5H3/b14-7+/t15-,16?,17-,18-,21+/m0/s1
InChIKey: InChIKey=SMMODFYAPGMQAN-WATQHHEYSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kenmogne, M., Prost, E., Harakat, D., Jacquier, M.J., Frederich, M., Sondengam, L.B., Zeches, M., Waffo-Teguo, P. Phytochemistry (2006) 67, 433-8
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) | 37.2 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.8 |
| 4 (C) | 39.4 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 37.9 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.6 |
| 10 (C) | 39.5 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 149.6 |
| 13 (C) | 127.5 |
| 14 (CH) | 49 |
| 15 (CH2) | 47.8 |
| 16 (C) | 166.8 |
| 17 (CH2) | 108.2 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 14.6 |
| 16a (CH3) | 51.9 |
