Spektraris NMR
7alpha-Acetoxy-15-hydroxyabieta-8,11,13-triene-18-al
Common Name: 7alpha-Acetoxy-15-hydroxyabieta-8,11,13-triene-18-al
Synonyms: 7alpha-Acetoxy-15-hydroxyabieta-8,11,13-triene-18-al
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14(24)26-18-12-19-21(4,13-23)9-6-10-22(19,5)17-8-7-15(11-16(17)18)20(2,3)25/h7-8,11,13,18-19,25H,6,9-10,12H2,1-5H3/t18-,19+,21+,22-/m1/s1
InChIKey: InChIKey=QQRIQPRRTYDUEP-XMGTWHOFSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ohtsu, H., Tanaka, R., Matsunaga, S. J Nat Prod (1998) 61, 1307-9
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) | 37.4 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 32 |
| 4 (C) | 49.1 |
| 5 (CH) | 38.1 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 70.1 |
| 8 (C) | 131.8 |
| 9 (C) | 147.9 |
| 10 (C) | 36.6 |
| 11 (CH) | 124.4 |
| 12 (CH) | 125.4 |
| 13 (C) | 147.2 |
| 14 (CH) | 126.4 |
| 15 (C) | 72.2 |
| 16 (CH3) | 31.6 |
| 17 (CH3) | 31.7 |
| 18 (CH) | 205.6 |
| 19 (CH3) | 14.1 |
| 20 (CH3) | 24.3 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21.5 |
