Spektraris NMR
12alpha,13beta-Dihydroxyabieta-8(14)-ene-18-oic acid
Common Name: 12alpha,13beta-Dihydroxyabieta-8(14)-ene-18-oic acid
Synonyms: 12alpha,13beta-Dihydroxyabieta-8(14)-ene-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(2)20(24)11-13-6-7-15-18(3,14(13)10-16(20)21)8-5-9-19(15,4)17(22)23/h11-12,14-16,21,24H,5-10H2,1-4H3,(H,22,23)/t14-,15+,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=QNIIWXJIRJWWRG-ICHMTLFLSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - De Carvalho, M.G., Rumjanek, V.M., Lopes, M.D.S., De Carvalho, A.G. Phytochemistry (1998) 49, 1101-5
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) | 37.1 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.4 |
| 4 (C) | 46.1 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 34.9 |
| 8 (C) | 137.4 |
| 9 (CH) | 47 |
| 10 (C) | 37.5 |
| 11 (CH2) | 25.4 |
| 12 (CH) | 67.3 |
| 13 (C) | 72 |
| 14 (CH) | 125.2 |
| 15 (CH) | 34.3 |
| 16 (CH3) | 16.6 |
| 17 (CH3) | 17.3 |
| 18 (C) | 178.5 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 14.6 |
