Spektraris NMR
3beta-Hydroxy-13-methoxytotara-8,11,13-triene-1-one
Common Name: 3beta-Hydroxy-13-methoxytotara-8,11,13-triene-1-one
Synonyms: 3beta-Hydroxy-13-methoxytotara-8,11,13-triene-1-one
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(2)19-13-7-10-16-20(3,4)17(22)11-18(23)21(16,5)14(13)8-9-15(19)24-6/h8-9,12,16-17,22H,7,10-11H2,1-6H3/t16-,17-,21+/m0/s1
InChIKey: InChIKey=ZUAARWHKJNAGGD-XGHQBKJUSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, T.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1999) 51, 793-801
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Totaranes; 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 (C) | 210.4 |
| 2 (CH2) | 45.1 |
| 3 (CH) | 78.4 |
| 4 (C) | 38.9 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 29.4 |
| 8 (C) | 133.1 |
| 9 (C) | 132.7 |
| 10 (C) | 53.6 |
| 11 (CH) | 128.4 |
| 12 (CH) | 109.1 |
| 13 (C) | 156.9 |
| 14 (C) | 134 |
| 15 (CH) | 27.7 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 25.2 |
| 13a (CH3) | 55 |
