Spektraris NMR
3beta-Acetoxyabieta-8,11,13-triene-12-ol
Common Name: 3beta-Acetoxyabieta-8,11,13-triene-12-ol
Synonyms: 3beta-Acetoxyabieta-8,11,13-triene-12-ol
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-13(2)16-11-15-7-8-19-21(4,5)20(25-14(3)23)9-10-22(19,6)17(15)12-18(16)24/h11-13,19-20,24H,7-10H2,1-6H3/t19-,20-,22+/m0/s1
InChIKey: InChIKey=PHSKKUGTTBRRRA-JAXLGGSGSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. J Nat Prod (1998) 61, 997-1000
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) | 36.5 |
| 2 (CH2) | 18.9 |
| 3 (CH) | 80.7 |
| 4 (C) | 37.2 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 29.9 |
| 8 (C) | 126.8 |
| 9 (C) | 147.4 |
| 10 (C) | 37.9 |
| 11 (CH) | 110.9 |
| 12 (C) | 150.9 |
| 13 (C) | 131.8 |
| 14 (CH) | 126.6 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 24.9 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.3 |
