Spektraris NMR
2-[(3E,7E)-4,8,11,12-Tetramethyltrideca-3,7,12-trienyl]-3-methyl-3-(3,7,8-trimethyl-4-methylene-8-nonenyl)oxirane
![2-[(3E,7E)-4,8,11,12-Tetramethyltrideca-3,7,12-trienyl]-3-methyl-3-(3,7,8-trimethyl-4-methylene-8-nonenyl)oxirane](/nmr/static/nmr/svg/5564.svg)
Common Name: 2-[(3E,7E)-4,8,11,12-Tetramethyltrideca-3,7,12-trienyl]-3-methyl-3-(3,7,8-trimethyl-4-methylene-8-nonenyl)oxirane
Synonyms: 2-[(3E,7E)-4,8,11,12-Tetramethyltrideca-3,7,12-trienyl]-3-methyl-3-(3,7,8-trimethyl-4-methylene-8-nonenyl)oxirane
CAS Registry Number:
InChI: InChI=1S/C33H56O/c1-24(2)28(7)19-18-27(6)15-12-14-26(5)16-13-17-32-33(11,34-32)23-22-31(10)30(9)21-20-29(8)25(3)4/h15-16,28-29,31-32H,1,3,9,12-14,17-23H2,2,4-8,10-11H3/b26-16+,27-15+
InChIKey: InChIKey=ISROTQRUKDWPSJ-XQFACUIPSA-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 (CH2) | 109.6 |
| 2 (C) | 149.9 |
| 3 (CH) | 41.1 |
| 4 (CH2) | 33.5 |
| 5 (CH2) | 31.7 |
| 6 (C) | 154.3 |
| 7 (CH) | 40.1 |
| 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) | 123.3 |
| 15 (C) | 135.9 |
| 16 (CH2) | 39.7 |
| 17 (CH2) | 26.6 |
| 18 (CH) | 124 |
| 19 (C) | 135.3 |
| 20 (CH2) | 37.5 |
| 21 (CH2) | 33.4 |
| 22 (CH) | 40.7 |
| 23 (C) | 150.1 |
| 24 (CH2) | 109.4 |
| 25 (CH3) | 18.9 |
| 26 (CH2) | 107.6 |
| 27 (CH3) | 16.7 |
| 28 (CH3) | 16 |
| 29 (CH3) | 16 |
| 30 (CH3) | 19 |
| 31 (CH3) | 19.8 |
| 32 (CH3) | 20.3 |
| 33 (CH3) | 19.7 |
