Spektraris NMR
3beta-Hydroxyabieta-8(14),9(11),12-triene-7-one
Common Name: 3beta-Hydroxyabieta-8(14),9(11),12-triene-7-one
Synonyms: 3beta-Hydroxyabieta-8(14),9(11),12-triene-7-one
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,17-18,22H,8-9,11H2,1-5H3/t17-,18-,20+/m0/s1
InChIKey: InChIKey=JGTWFDYFSWXNEC-CMKODMSKSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seca, A.M.L., Silva, A.M.S., Bazzocchi, I.L., Jimenez, I.A. Phytochemistry (2008) 69, 498-505
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) | 36.2 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 38.8 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 35.8 |
| 7 (C) | 199.5 |
| 8 (C) | 130.4 |
| 9 (C) | 152.9 |
| 10 (C) | 37.6 |
| 11 (CH) | 123.9 |
| 12 (CH) | 132.6 |
| 13 (C) | 146.9 |
| 14 (CH) | 124.9 |
| 15 (CH) | 33.6 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 23.4 |
