Spektraris NMR
Bacrispine
Common Name: Bacrispine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-16(22)9-20-11-25-18(23)14(20)3-4-15(21)17(20)19(12,2)7-5-13-6-8-24-10-13/h3,6,8,10,12,15-17,21-22H,4-5,7,9,11H2,1-2H3/t12-,15+,16-,17-,19+,20-/m1/s1
InChIKey: InChIKey=RVZLDPWPUOTCAE-PUQUKBOQSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
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 (CH) | 63.3 |
| 2 (CH2) | 35.5 |
| 3 (CH) | 129.9 |
| 4 (C) | 137.7 |
| 5 (C) | 38.7 |
| 6 (CH2) | 41.4 |
| 7 (CH) | 71.8 |
| 8 (CH) | 49.7 |
| 9 (C) | 44.3 |
| 10 (CH) | 41.2 |
| 11 (CH2) | 38.2 |
| 12 (CH2) | 18.1 |
| 13 (C) | 124.6 |
| 14 (CH) | 110.5 |
| 15 (CH) | 142.6 |
| 16 (CH) | 138.1 |
| 17 (CH3) | 11.3 |
| 18 (C) | 171.5 |
| 19 (CH2) | 74.8 |
| 20 (CH3) | 19.8 |
