(1S,2S,5Z,7E,11Z)-1,5-Dimethyl-2-hydroxy-8-(1-methylethyl)-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-16-one

(1S,2S,5Z,7E,11Z)-1,5-Dimethyl-2-hydroxy-8-(1-methylethyl)-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-16-one

Common Name: (1S,2S,5Z,7E,11Z)-1,5-Dimethyl-2-hydroxy-8-(1-methylethyl)-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-16-one

Synonyms: (1S,2S,5Z,7E,11Z)-1,5-Dimethyl-2-hydroxy-8-(1-methylethyl)-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-16-one

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/b15-7-,16-9+/t18-,20-/m0/s1

InChIKey: InChIKey=UPVZGDDJVFXWOG-AOLGGISKSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gross, H., Wright, A.D., Beil, W., Konig, G.M. Org Biomol Chem (2004) 2, 1133-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) 145.2
2 (CH2) 27.7
3 (CH2) 27.8
4 (C) 133.7
5 (CH) 140.3
6 (CH2) 32
7 (CH2) 34.3
8 (C) 82.6
9 (CH) 66.7
10 (CH2) 27.3
11 (CH2) 34.8
12 (C) 135.8
13 (CH) 123.5
14 (CH) 119.9
15 (CH) 30.2
16 (CH3) 19.9
17 (CH3) 23.3
18 (C) 166.9
19 (CH3) 22.3
20 (CH3) 27.9