Spektraris NMR
12-epi-Bacchotricuneatin A
Common Name: 12-epi-Bacchotricuneatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h3,6,8,10,13,15-16H,2,4-5,7,9,11H2,1H3/t13-,15-,16+,19-,20+/m0/s1
InChIKey: InChIKey=BLXXJMVVAYFKDR-TZPXMIBGSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Simirgiotis, M.J., Favier, L.S., Rossomando, P.C., Giordano, O.S., Tonn, C.E., Padron, J.I., Vazquez, J.T. Phytochemistry (2000) 55, 721-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.9 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 135.8 |
| 4 (C) | 137.4 |
| 5 (C) | 44.2 |
| 6 (CH2) | 33.1 |
| 7 (CH2) | 18.9 |
| 8 (CH) | 53.1 |
| 9 (C) | 36.9 |
| 10 (CH) | 50.8 |
| 11 (CH2) | 42.5 |
| 12 (CH) | 71.8 |
| 13 (C) | 125.4 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.7 |
| 16 (CH) | 139.3 |
| 17 (C) | 168.4 |
| 18 (C) | 171.1 |
| 19 (CH2) | 71.1 |
| 20 (CH3) | 13.4 |
