Spektraris NMR
15,18-Diacetoxyabieta-8,11,13-triene-7-one
Common Name: 15,18-Diacetoxyabieta-8,11,13-triene-7-one
Synonyms: 15,18-Diacetoxyabieta-8,11,13-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C24H32O5/c1-15(25)28-14-23(5)10-7-11-24(6)19-9-8-17(22(3,4)29-16(2)26)12-18(19)20(27)13-21(23)24/h8-9,12,21H,7,10-11,13-14H2,1-6H3/t21-,23-,24+/m0/s1
InChIKey: InChIKey=VPILKVNZBDMRIO-OEMFJLHTSA-N
Formula: C24H32O5
Molecular Weight: 400.50879
Exact Mass: 400.224974
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) | 37.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 35.2 |
| 4 (C) | 37.7 |
| 5 (CH) | 42.8 |
| 6 (CH2) | 35.9 |
| 7 (C) | 198.6 |
| 8 (C) | 130.6 |
| 9 (C) | 154.2 |
| 10 (C) | 36.5 |
| 11 (CH) | 123.7 |
| 12 (CH) | 130.1 |
| 13 (C) | 144 |
| 14 (CH) | 123.1 |
| 15 (C) | 81 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 28.7 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 23.9 |
| 15a (C) | 169.8 |
| 15b (CH3) | 22.3 |
| 18a (C) | 171.1 |
| 18b (CH3) | 21 |
