Spektraris NMR
(5alpha,8beta,10beta)-18-Hydroxycassane-13,15-diene
Common Name: (5alpha,8beta,10beta)-18-Hydroxycassane-13,15-diene
Synonyms: (5alpha,8beta,10beta)-18-Hydroxycassane-13,15-diene
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-5-15-7-9-17-16(14(15)2)8-10-18-19(3,13-21)11-6-12-20(17,18)4/h5,16-18,21H,1,6-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=XMNZLNUFQJDGKT-VYJAJWGXSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendoza, D.T., Urena Gonzalez, L.D., Ortega-Barria, E., Capson, T.L., Rios, L.C. J Nat Prod (2003) 66, 928-32
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) | 38.6 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 35.5 |
| 4 (C) | 38 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 41.7 |
| 9 (CH) | 54.1 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.9 |
| 13 (C) | 128.9 |
| 14 (C) | 137.2 |
| 15 (CH) | 135.9 |
| 16 (CH2) | 111 |
| 17 (CH3) | 16.1 |
| 18 (CH2) | 72.6 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 15 |
