Spektraris NMR
(5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol
Common Name: (5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol
Synonyms: (5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-5-14-7-8-16-15(13(14)2)11-17(22)18-19(3,12-21)9-6-10-20(16,18)4/h5,15-18,21-22H,1,6-12H2,2-4H3/t15-,16-,17+,18-,19-,20+/m0/s1
InChIKey: InChIKey=BRNVYJSCDJWVGQ-CFSBILQPSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
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) | 40.4 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 37.7 |
| 4 (C) | 32.6 |
| 5 (CH) | 50 |
| 6 (CH) | 67.7 |
| 7 (CH2) | 40.1 |
| 8 (CH) | 35.8 |
| 9 (CH) | 53.9 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26.5 |
| 13 (C) | 128.8 |
| 14 (C) | 136.4 |
| 15 (CH) | 135.4 |
| 16 (CH2) | 110.6 |
| 17 (CH3) | 15.9 |
| 18 (CH2) | 72.5 |
| 19 (CH3) | 19.6 |
| 20 (CH3) | 17 |
