Spektraris NMR
1,2,3,4,4aalpha,5,6,7,8,8abeta-Decahydro-5alpha-(1-hydroxy-1-methylethyl)-3beta-methyl-8-methylenenaphthalene-2beta-ol
Common Name: 1,2,3,4,4aalpha,5,6,7,8,8abeta-Decahydro-5alpha-(1-hydroxy-1-methylethyl)-3beta-methyl-8-methylenenaphthalene-2beta-ol
Synonyms: 1,2,3,4,4aalpha,5,6,7,8,8abeta-Decahydro-5alpha-(1-hydroxy-1-methylethyl)-3beta-methyl-8-methylenenaphthalene-2beta-ol
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-9-5-6-13(15(3,4)17)12-7-10(2)14(16)8-11(9)12/h10-14,16-17H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14+/m0/s1
InChIKey: InChIKey=QRBOTGDTNVITHK-ODXJTPSBSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 46.2 |
| 2 (CH2) | 36.6 |
| 3 (CH) | 70.1 |
| 4 (CH) | 35.9 |
| 5 (CH2) | 34.3 |
| 6 (CH) | 38.5 |
| 7 (CH) | 53.1 |
| 8 (CH2) | 31 |
| 9 (CH2) | 36.4 |
| 10 (C) | 152.6 |
| 11 (C) | 74.2 |
| 12 (CH3) | 24.2 |
| 13 (CH3) | 31.7 |
| 14 (CH3) | 18.6 |
| 15 (CH2) | 103.6 |
