Spektraris NMR
Crossostephino
Common Name: Crossostephino
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O5/c1-9-5-6-12(17)15(3)8-7-11(10(2)14(19)21-4)13(18)16(9,15)20/h11-13,17-18,20H,1-2,5-8H2,3-4H3/t11-,12+,13-,15-,16-/m0/s1
InChIKey: InChIKey=CDDSOFTYXIGPSN-AKIOZOGOSA-N
Formula: C16H24O5
Molecular Weight: 296.359377
Exact Mass: 296.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, Q., Zhou, L., Yang, X.W., Fu, D.X. J Asian Nat Prod Res (2009) 11, 85-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 72.7 |
| 2 (CH2) | 31 |
| 3 (CH2) | 30.2 |
| 4 (C) | 147.4 |
| 5 (C) | 78.3 |
| 6 (CH) | 71 |
| 7 (CH) | 43.1 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 29.1 |
| 10 (C) | 43.4 |
| 11 (C) | 142.5 |
| 12 (C) | 168.6 |
| 13 (CH2) | 126.1 |
| 14 (CH3) | 12.7 |
| 15 (CH2) | 109.8 |
| 12a (CH3) | 52.1 |
