Spektraris NMR
Dolabeserpenoic acid A
Common Name: Dolabeserpenoic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14(2)17-11-13-20(4)12-10-15(3)6-5-7-16(19(21)22)8-9-18(17)20/h7,10-11,14,18H,5-6,8-9,12-13H2,1-4H3,(H,21,22)/b15-10+,16-7-/t18-,20-/m1/s1
InChIKey: InChIKey=YQRHFPSCUBKRIZ-RJHYLEMXSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 45.9 |
| 2 (CH2) | 41.2 |
| 3 (CH) | 125.1 |
| 4 (C) | 135.4 |
| 5 (CH2) | 39.9 |
| 6 (CH2) | 26 |
| 7 (CH) | 150.4 |
| 8 (C) | 128.7 |
| 9 (CH2) | 34.3 |
| 10 (CH2) | 26.4 |
| 11 (CH) | 47.1 |
| 12 (C) | 154 |
| 13 (CH) | 118.4 |
| 14 (CH2) | 48.5 |
| 15 (CH3) | 22.4 |
| 16 (CH3) | 15.9 |
| 17 (C) | 172.9 |
| 18 (CH) | 26.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 22.6 |
