Spektraris NMR
12alpha-Hydroxyabieta-7,13-diene-18-oic acid methyl ester
Common Name: 12alpha-Hydroxyabieta-7,13-diene-18-oic acid methyl ester
Synonyms: 12alpha-Hydroxyabieta-7,13-diene-18-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h7,11,13,16-18,22H,6,8-10,12H2,1-5H3/t16-,17-,18+,20+,21+/m0/s1
InChIKey: InChIKey=PUHPBPHIHCNJOC-FSAOVCISSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda, E., Chahboun, R., Cabrera, E., Alvarez, E., Manzaneda, R.A.-., Lachkar, M., Messouri, I. Tetrahedron Lett (2007) 48, 989-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.1 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 37.2 |
| 4 (C) | 46.6 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 124.3 |
| 8 (C) | 134.5 |
| 9 (CH) | 43.6 |
| 10 (C) | 34.1 |
| 11 (CH2) | 26 |
| 12 (CH) | 66.4 |
| 13 (C) | 144.1 |
| 14 (CH) | 125.6 |
| 15 (CH) | 32.6 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 22.4 |
| 18 (C) | 178.9 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 14.4 |
| 18a (CH3) | 51.9 |
