Spektraris NMR
1β,7α-Dihydroxydehydroabietic acid
Common Name: 1β,7α-Dihydroxydehydroabietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11(2)12-5-6-14-13(9-12)15(21)10-16-19(3,18(23)24)8-7-17(22)20(14,16)4/h5-6,9,11,15-17,21-22H,7-8,10H2,1-4H3,(H,23,24)/t15-,16+,17-,19-,20-/m1/s1
InChIKey: InChIKey=VBGYFFVTLRYZMI-JEIKXUOUSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - van Beek, T.A., Claassen, F.W., Dorado, J., Godejohann, M., Sierra-Alvarez, R., Wijnberg, J.B. J Nat Prod (2007) 70, 154-9
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 (CH) | 77.2 |
| 2 (CH2) | 30 |
| 3 (CH2) | 34.7 |
| 4 (C) | 47.3 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 68.7 |
| 8 (C) | 136.1 |
| 9 (C) | 146.2 |
| 10 (C) | 43.8 |
| 11 (CH) | 127.3 |
| 12 (CH) | 128.1 |
| 13 (C) | 147.5 |
| 14 (CH) | 128.3 |
| 15 (CH) | 33.9 |
| 16 (CH3) | 24.3 |
| 17 (CH3) | 24.5 |
| 18 (C) | 182.3 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 18.5 |
