Spektraris NMR
Chagresnol
Common Name: Chagresnol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-5-15-7-8-18-16(17(15)12-23)11-19(25)20-21(3,13-26-14(2)24)9-6-10-22(18,20)4/h5,16,18-20,23,25H,1,6-13H2,2-4H3/t16-,18-,19+,20-,21-,22+/m0/s1
InChIKey: InChIKey=PAKBXHOEKOBBDP-BGOZWBLRSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torres-Mendoza, D., Urena Gonzalez, L.D., Ortega-Barria, E., Coley, P.D., Kursar, T.A., Capson, T.L., McPhail, K., Cubilla-Rios, L. J Nat Prod (2004) 67, 1711-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 40.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 38 |
| 4 (C) | 37.4 |
| 5 (CH) | 51.4 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 41.1 |
| 8 (CH) | 33.5 |
| 9 (CH) | 54.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27 |
| 13 (C) | 134.3 |
| 14 (C) | 138.7 |
| 15 (CH) | 134.4 |
| 16 (CH2) | 113.6 |
| 17 (CH2) | 59.3 |
| 18 (CH2) | 73 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 17.3 |
| 18a (C) | 171.3 |
| 18b (CH3) | 21 |
