Spektraris NMR
6alpha,11-Dihydroxy-12-methoxyabieta-8,11,13-trien-7-one
Common Name: 6alpha,11-Dihydroxy-12-methoxyabieta-8,11,13-trien-7-one
Synonyms: 6alpha,11-Dihydroxy-12-methoxyabieta-8,11,13-trien-7-one
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-11(2)12-10-13-14(16(23)18(12)25-6)21(5)9-7-8-20(3,4)19(21)17(24)15(13)22/h10-11,17,19,23-24H,7-9H2,1-6H3/t17-,19-,21+/m0/s1
InChIKey: InChIKey=LSXXATUHWQXQII-HFSMHLIXSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
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) | 36.5 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.4 |
| 4 (C) | 34 |
| 5 (CH) | 55.4 |
| 6 (CH) | 73.3 |
| 7 (C) | 200.6 |
| 8 (C) | 125.9 |
| 9 (C) | 139.7 |
| 10 (C) | 41.3 |
| 11 (C) | 146.5 |
| 12 (C) | 149.7 |
| 13 (C) | 137.7 |
| 14 (CH) | 117.5 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 35.7 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 19 |
| 12a (CH3) | 61.9 |
