1,5,6alpha-Trimethyl-5beta-[(3E)-3-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carbaldehyde

1,5,6alpha-Trimethyl-5beta-[(3E)-3-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carbaldehyde

Common Name: 1,5,6alpha-Trimethyl-5beta-[(3E)-3-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carbaldehyde

Synonyms: 1,5,6alpha-Trimethyl-5beta-[(3E)-3-methyl-5-(tetrahydro-2H-pyran-2-yloxy)-3-pentenyl]-1,2,3,5,6,7,8,8abeta-octahydronaphthalene-1beta-carbaldehyde

CAS Registry Number:

InChI: InChI=1S/C25H40O3/c1-19(13-17-28-23-9-5-6-16-27-23)12-15-25(4)20(2)10-11-21-22(25)8-7-14-24(21,3)18-26/h8,13,18,20-21,23H,5-7,9-12,14-17H2,1-4H3/b19-13+/t20-,21+,23?,24-,25+/m1/s1

InChIKey: InChIKey=LZBBLPFHUJDAHR-CQOKBXIXSA-N

Formula: C25H40O3

Molecular Weight: 388.584242

Exact Mass: 388.297745

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Garcia, N., Sexmero, M.J., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2005) 61, 11672-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 120.4
2 (CH2) 22.6
3 (CH2) 28.7
4 (C) 48
5 (CH) 36.2
6 (CH2) 23.2
7 (CH2) 27.9
8 (CH) 38.9
9 (C) 43.2
10 (C) 141.2
11 (CH2) 37.6
12 (CH2) 34.4
13 (C) 141.1
14 (CH) 120.3
15 (CH2) 63.9
16 (CH3) 16.9
17 (CH3) 15.8
18 (CH) 205.9
19 (CH3) 17.6
20 (CH3) 22.5
1' (CH) 97.9
2' (CH2) 30.9
3' (CH2) 25.8
4' (CH2) 19.9
5' (CH2) 62.3