5-[(3E,7E,10S)-4,8,12-Trimethyl-10-hydroxy-3,7,11-tridecatriene-1-yl]-2,6-dioxabicyclo[3.1.0]hexane-3-one

5-[(3E,7E,10S)-4,8,12-Trimethyl-10-hydroxy-3,7,11-tridecatriene-1-yl]-2,6-dioxabicyclo[3.1.0]hexane-3-one

Common Name: 5-[(3E,7E,10S)-4,8,12-Trimethyl-10-hydroxy-3,7,11-tridecatriene-1-yl]-2,6-dioxabicyclo[3.1.0]hexane-3-one

Synonyms: 5-[(3E,7E,10S)-4,8,12-Trimethyl-10-hydroxy-3,7,11-tridecatriene-1-yl]-2,6-dioxabicyclo[3.1.0]hexane-3-one

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-14(2)11-17(21)12-16(4)8-5-7-15(3)9-6-10-20-13-18(22)23-19(20)24-20/h8-9,11,17,19,21H,5-7,10,12-13H2,1-4H3/b15-9+,16-8+/t17-,19?,20?/m1/s1

InChIKey: InChIKey=SWUAXGSRSQMBTG-JKRLADCNSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Culioli, G., Daoudi, M., Mesguiche, V., Valls, R., Piovetti, L. Phytochemistry (1999) 52, 1447-54

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) 173.5
2 (CH2) 36.1
3 (C) 62.3
4 (CH2) 29.5
5 (CH2) 23.1
6 (CH) 122.5
7 (C) 136.9
8 (CH2) 39.4
9 (CH2) 26.2
10 (CH) 127.5
11 (C) 131.9
12 (CH2) 48.2
13 (CH) 65.5
14 (CH) 129.2
15 (C) 135
16 (CH3) 25.8
17 (CH3) 18.2
18 (CH3) 16.1
19 (CH3) 15.9
20 (CH) 82.9