Spektraris NMR
7β,16-Dihydroxydehydroabietic acid
Common Name: 7β,16-Dihydroxydehydroabietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12(11-21)13-5-6-15-14(9-13)16(22)10-17-19(15,2)7-4-8-20(17,3)18(23)24/h5-6,9,12,16-17,21-22H,4,7-8,10-11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1
InChIKey: InChIKey=BETVGAOCAIJQOL-QQJWSKILSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C+M
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 (CH2) | 36.6 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 38.3 |
| 4 (C) | 47.4 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 33 |
| 7 (CH) | 71 |
| 8 (C) | 141.7 |
| 9 (C) | 147.9 |
| 10 (C) | 38.3 |
| 11 (CH) | 125 |
| 12 (CH) | 127.1 |
| 13 (C) | 137.8 |
| 14 (CH) | 127.3 |
| 15 (CH) | 42.4 |
| 16 (CH2) | 69 |
| 17 (CH3) | 18 |
| 18 (C) | 183.4 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 25.8 |
