Spektraris NMR
1β,16-Dihydroxydehydroabietic acid
Common Name: 1β,16-Dihydroxydehydroabietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12(11-21)13-4-6-15-14(10-13)5-7-16-19(2,18(23)24)9-8-17(22)20(15,16)3/h4,6,10,12,16-17,21-22H,5,7-9,11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1
InChIKey: InChIKey=OGBYCVTZTZCJCF-QQJWSKILSA-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) | 77.1 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 35.2 |
| 4 (C) | 47.3 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 29.9 |
| 8 (C) | 135.9 |
| 9 (C) | 147.5 |
| 10 (C) | 43.5 |
| 11 (CH) | 127.8 |
| 12 (CH) | 125.3 |
| 13 (C) | 141.3 |
| 14 (CH) | 128.3 |
| 15 (CH) | 42.2 |
| 16 (CH2) | 69 |
| 17 (CH3) | 17.9 |
| 18 (C) | 182.3 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 18.4 |
