Spektraris NMR
6,12-Dihydroxy-11-methoxyabieta-5,8,11,13-tetren-7-one
Common Name: 6,12-Dihydroxy-11-methoxyabieta-5,8,11,13-tetren-7-one
Synonyms: 6,12-Dihydroxy-11-methoxyabieta-5,8,11,13-tetren-7-one
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)12-10-13-14(18(25-6)16(12)23)21(5)9-7-8-20(3,4)19(21)17(24)15(13)22/h10-11,23-24H,7-9H2,1-6H3/t21-/m1/s1
InChIKey: InChIKey=BHSMLHMTPPELTD-OAQYLSRUSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
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) | 29.7 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.4 |
| 4 (C) | 36.5 |
| 5 (C) | 143 |
| 6 (C) | 144.5 |
| 7 (C) | 179.9 |
| 8 (C) | 124.4 |
| 9 (C) | 139.9 |
| 10 (C) | 40.9 |
| 11 (C) | 148.6 |
| 12 (C) | 145.8 |
| 13 (C) | 137.6 |
| 14 (CH) | 116.3 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 27.2 |
| 20 (CH3) | 27.9 |
| 11a (CH3) | 62 |
