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: C6D6

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
2 (CH2) 35.7
3 (C) 61.8
4 (CH2) 29.3
5 (CH2) 23.1
6 (CH) 123.4
7 (C) 136.4
8 (CH2) 39.7
9 (CH2) 26.4
10 (CH) 128.6
11 (C) 132.5
12 (CH2) 48.7
13 (CH) 66.2
14 (CH) 129.1
15 (C) 133.7
16 (CH3) 25.7
17 (CH3) 18.1
18 (CH3) 16.3
19 (CH3) 15.7
20 (CH) 82.6