2-[(3E)-4,7,11,12-Tetramethyl-8-methylenetrideca-3,12-dienyl]-3-methyl-3-(3,8-dimethyl-4-methylene-7-nonenyl)oxirane

2-[(3E)-4,7,11,12-Tetramethyl-8-methylenetrideca-3,12-dienyl]-3-methyl-3-(3,8-dimethyl-4-methylene-7-nonenyl)oxirane

Common Name: 2-[(3E)-4,7,11,12-Tetramethyl-8-methylenetrideca-3,12-dienyl]-3-methyl-3-(3,8-dimethyl-4-methylene-7-nonenyl)oxirane

Synonyms: 2-[(3E)-4,7,11,12-Tetramethyl-8-methylenetrideca-3,12-dienyl]-3-methyl-3-(3,8-dimethyl-4-methylene-7-nonenyl)oxirane

CAS Registry Number:

InChI: InChI=1S/C33H56O/c1-24(2)14-12-16-28(7)31(10)22-23-33(11)32(34-33)17-13-15-26(5)18-19-29(8)30(9)21-20-27(6)25(3)4/h14-15,27,29,31-32H,3,7,9,12-13,16-23H2,1-2,4-6,8,10-11H3/b26-15+

InChIKey: InChIKey=JSPACWYLVPDIEH-CVKSISIWSA-N

Formula: C33H56O1

Molecular Weight: 468.798372

Exact Mass: 468.433116

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Delahais, V., Metzger, P. Phytochemistry (1997) 44, 671-8

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) 17.7
2 (C) 131.6
3 (CH) 124.3
4 (CH2) 26.6
5 (CH2) 33.6
6 (C) 153.8
7 (CH) 39.7
8 (CH2) 30.9
9 (CH2) 36.8
10 (C) 61.1
11 (CH) 63.3
12 (CH2) 24.9
13 (CH2) 29
14 (CH) 123.1
15 (C) 136.2
16 (CH2) 34
17 (CH2) 37.5
18 (CH) 40.2
19 (C) 154.8
20 (CH2) 31.3
21 (CH2) 33.4
22 (CH) 41.1
23 (C) 150
24 (CH2) 109.6
25 (CH3) 25.7
26 (CH2) 107.8
27 (CH3) 16.7
28 (CH3) 16
29 (CH2) 107.6
30 (CH3) 18.9
31 (CH3) 20.3
32 (CH3) 20.3
33 (CH3) 19.8