Spektraris NMR
(3Z,5E)-2-methyl-6-(4a'-methyl-8'-methylene-trans-perhydronaphthalen-2'-yl)hepta-3,5-dien-2-ol
Common Name: (3Z,5E)-2-methyl-6-(4a'-methyl-8'-methylene-trans-perhydronaphthalen-2'-yl)hepta-3,5-dien-2-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-15(8-6-11-19(3,4)21)17-10-13-20(5)12-7-9-16(2)18(20)14-17/h6,8,11,17-18,21H,2,7,9-10,12-14H2,1,3-5H3/b11-6-,15-8+/t17-,18+,20-/m1/s1
InChIKey: InChIKey=VGVBCHZWSHUBLW-ZMHHYSRVSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: C+Z
MHz:
Calibration:
NMR references: 13C - Matthee, G.F., Konig, G.M., Wright, A.D. J Nat Prod (1998) 61, 237-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenyleudesmanes; 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) | 42.3 |
| 2 (CH2) | 23.5 |
| 3 (CH2) | 37.1 |
| 4 (C) | 151.2 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 26.1 |
| 7 (CH) | 40.7 |
| 8 (CH2) | 23.4 |
| 9 (CH2) | 36.9 |
| 10 (C) | 36.4 |
| 11 (C) | 142 |
| 12 (CH) | 120.2 |
| 13 (CH) | 125.2 |
| 14 (CH) | 135.8 |
| 15 (C) | 71.8 |
| 16 (CH3) | 31.4 |
| 17 (CH3) | 31.4 |
| 18 (CH3) | 16 |
| 19 (CH3) | 16 |
| 20 (CH2) | 105.1 |
