(6S,10Z,12E)-3-Hydroxy-6,10-dimethyl-13-[(S)-4,5,6,7-tetrahydro-7-methylbenzofuran-7-yl]-10,12-tridecadiene-4-one

(6S,10Z,12E)-3-Hydroxy-6,10-dimethyl-13-[(S)-4,5,6,7-tetrahydro-7-methylbenzofuran-7-yl]-10,12-tridecadiene-4-one

Common Name: (6S,10Z,12E)-3-Hydroxy-6,10-dimethyl-13-[(S)-4,5,6,7-tetrahydro-7-methylbenzofuran-7-yl]-10,12-tridecadiene-4-one

Synonyms: (6S,10Z,12E)-3-Hydroxy-6,10-dimethyl-13-[(S)-4,5,6,7-tetrahydro-7-methylbenzofuran-7-yl]-10,12-tridecadiene-4-one

CAS Registry Number:

InChI: InChI=1S/C24H36O3/c1-5-21(25)22(26)17-19(3)10-6-9-18(2)11-7-14-24(4)15-8-12-20-13-16-27-23(20)24/h7,11,13-14,16,19,21,25H,5-6,8-10,12,15,17H2,1-4H3/b14-7+,18-11-/t19-,21?,24+/m0/s1

InChIKey: InChIKey=GHGXPVQCIKVWSW-QLQJQYTPSA-N

Formula: C24H36O3

Molecular Weight: 372.541743

Exact Mass: 372.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Issa, H.H., Tanaka, J., Higa, T. J Nat Prod (2003) 66, 251-4

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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) 140.7
2 (CH) 110.1
3 (C) 116.6
4 (C) 154.8
5 (CH2) 22.5
6 (CH2) 20.1
7 (CH2) 38.3
8 (C) 38.6
9 (CH3) 25.8
10 (CH) 138.5
11 (CH) 124.8
12 (CH) 125.4
13 (C) 137.6
14 (CH3) 23.7
15 (CH2) 32.3
16 (CH2) 25.4
17 (CH2) 36.8
18 (CH) 28.3
19 (CH3) 19.6
20 (CH2) 45.9
21 (C) 211.2
22 (CH) 83.6
23 (CH2) 24.6
24 (CH3) 9