6-Hydroxy-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde

6-Hydroxy-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde

Common Name: 6-Hydroxy-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde

Synonyms: 6-Hydroxy-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde

CAS Registry Number:

InChI: InChI=1S/C28H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(6)17-15-24-25(19-29)26(30)18-23(5)27(24)31-28/h10,12,14,18-19,30H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+

InChIKey: InChIKey=VVUPQSRSJMZZQI-QRCIITMISA-N

Formula: C28H40O3

Molecular Weight: 424.61645

Exact Mass: 424.297745

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Merza, J., Aumond, M.C., Rondeau, D., Dumontet, V., Le Ray, A.M., Seraphin, D., Richomme, P. Phytochemistry (2004) 65, 2915-20

Species:

Notes: Family : Chromans, Type : Chromans; 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
2 (C) 75
3 (CH2) 30.7
4 (CH2) 18.6
5 (C) 115.4
6 (C) 157.1
7 (CH) 117.6
8 (C) 140.2
9 (C) 144.5
10 (C) 117.6
1' (CH2) 38.7
2' (CH2) 23
3' (CH) 124.4
4' (C) 135
5' (CH2) 39.7
6' (CH2) 26.5
7' (CH) 123.1
8' (C) 135.4
9' (CH2) 39.2
10' (CH2) 26.7
11' (CH) 123.9
12' (C) 131.3
13' (CH3) 25.7
2a (CH3) 23.7
5a (CH) 194.2
8a (CH3) 17.4
4'a (CH3) 15.9
8'a (CH3) 16
12'a (CH3) 17.7