Spektraris NMR
1-deoxybacrispine
Common Name: 1-deoxybacrispine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1
InChIKey: InChIKey=AQIUXCCPCWXHJS-WNRRLTEBSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cenal, J.P., Giordano, O.S., Rossomando, P.C., Tonn, C.E. J Nat Prod (1997) 60, 490-2
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) | 18.11 |
| 2 (CH2) | 19.16 |
| 3 (CH) | 135 |
| 4 (C) | 138.3 |
| 5 (C) | 38.8 |
| 6 (CH2) | 40.3 |
| 7 (CH) | 72.2 |
| 8 (CH) | 48.1 |
| 9 (C) | 44.9 |
| 10 (CH) | 40.3 |
| 11 (CH2) | 38.5 |
| 12 (CH2) | 18.1 |
| 13 (C) | 124.7 |
| 14 (CH) | 110.7 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.9 |
| 17 (CH3) | 11.9 |
| 18 (C) | 170.3 |
| 19 (CH2) | 72.8 |
| 20 (CH3) | 19.2 |
