Spektraris NMR
(5alpha,8beta,10beta)-18-Acetoxycassane-13,15-dien-6-one
Common Name: (5alpha,8beta,10beta)-18-Acetoxycassane-13,15-dien-6-one
Synonyms: (5alpha,8beta,10beta)-18-Acetoxycassane-13,15-dien-6-one
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-6-16-8-9-18-17(14(16)2)12-19(24)20-21(4,13-25-15(3)23)10-7-11-22(18,20)5/h6,17-18,20H,1,7-13H2,2-5H3/t17-,18-,20-,21-,22+/m0/s1
InChIKey: InChIKey=JYJGTUSFOKBNMA-OOOLTRJPSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
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) | 38.2 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 36.3 |
| 4 (C) | 35.3 |
| 5 (CH) | 60.2 |
| 6 (C) | 210.8 |
| 7 (CH2) | 47.7 |
| 8 (CH) | 42.8 |
| 9 (CH) | 53.6 |
| 10 (C) | 41.3 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.4 |
| 13 (C) | 129.4 |
| 14 (C) | 134.3 |
| 15 (CH) | 135 |
| 16 (CH2) | 112 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 71.9 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 16 |
| 18a (C) | 171 |
| 18b (CH3) | 21 |
