Spektraris NMR
Trisnorisoespinenoxide
Common Name: Trisnorisoespinenoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O/c1-18(2)19-9-11-22-24(19,3)13-15-27(6)23-12-10-21-20(8-7-17-28-21)25(23,4)14-16-26(22,27)5/h18-19,22-23H,7-17H2,1-6H3/t19-,22-,23+,24-,25+,26+,27-/m1/s1
InChIKey: InChIKey=NYUOLQLVGBJSRN-DZYNJOPRSA-N
Formula: C27H44O1
Molecular Weight: 384.638667
Exact Mass: 384.339216
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Matsunaga S., Ishida T., Shingu T. Tetrahedron Lett (1989) 30, 1661
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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) | 18.5 |
| 2 (CH2) | 23.2 |
| 3 (CH2) | 65.2 |
| 5 (C) | 144.9 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 17.8 |
| 8 (CH) | 44.6 |
| 9 (C) | 36.6 |
| 10 (C) | 115.9 |
| 11 (CH2) | 31.3 |
| 12 (CH2) | 28.5 |
| 13 (C) | 39.1 |
| 14 (C) | 40.1 |
| 15 (CH2) | 29 |
| 16 (CH2) | 35.6 |
| 17 (C) | 42.3 |
| 18 (CH) | 51.7 |
| 19 (CH2) | 20 |
| 20 (CH2) | 28.5 |
| 21 (CH) | 60.2 |
| 22 (CH) | 30.8 |
| 25 (CH3) | 23.2 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 15.5 |
| 28 (CH3) | 16.5 |
| 29 (CH3) | 22 |
| 30 (CH3) | 22.9 |
