3-[(1R)-1,5-Dimethyl-5-hydroxy-3-hexenyl]-6-methylcatechol

3-[(1R)-1,5-Dimethyl-5-hydroxy-3-hexenyl]-6-methylcatechol

Common Name: 3-[(1R)-1,5-Dimethyl-5-hydroxy-3-hexenyl]-6-methylcatechol

Synonyms: 3-[(1R)-1,5-Dimethyl-5-hydroxy-3-hexenyl]-6-methylcatechol

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-10(6-5-9-15(3,4)18)12-8-7-11(2)13(16)14(12)17/h5,7-10,16-18H,6H2,1-4H3/b9-5+/t10-/m1/s1

InChIKey: InChIKey=ZTLNAPYLFAYUEJ-NAZIUFLLSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Manguro, L.O., Ugi, I., Hermann, R., Lemmen, P Phytochemistry (2003) 63, 497-502

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (C) 141.4
2 (C) 142
3 (C) 122
4 (CH) 123.5
5 (CH) 118.3
6 (C) 131.4
7 (CH) 39.3
8 (CH2) 37.5
9 (CH) 124.7
10 (CH) 138.2
11 (C) 72.6
12 (CH3) 29.4
13 (CH3) 30.1
14 (CH3) 22
15 (CH3) 18.7