Spektraris NMR
Nepetidone
Common Name: Nepetidone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O4/c1-16(30)17-8-10-26(4)12-13-27(5)18(23(17)26)14-19(31)24-28(27,6)11-9-20-25(2,3)21(32)15-22(33)29(20,24)7/h17-24,31-33H,8-15H2,1-7H3/t17-,18+,19+,20-,21-,22+,23+,24-,26+,27+,28+,29+/m0/s1
InChIKey: InChIKey=CEXMUXAEKDKLDQ-KTBZBUBOSA-N
Formula: C29H48O4
Molecular Weight: 460.690117
Exact Mass: 460.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Mohammad, F.V. J Nat Prod (1986) 49, 524-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 66.4 |
| 2 (CH2) | 35.2 |
| 3 (CH) | 75 |
| 4 (C) | 39.9 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.2 |
| 8 (C) | 42.7 |
| 9 (CH) | 52.1 |
| 10 (C) | 46.3 |
| 11 (CH) | 76.5 |
| 12 (CH2) | 34.9 |
| 13 (CH) | 35.2 |
| 14 (C) | 42.7 |
| 15 (CH2) | 28 |
| 16 (CH2) | 38 |
| 17 (C) | 43.1 |
| 18 (CH) | 49.4 |
| 19 (CH) | 53.4 |
| 20 (C) | 211.3 |
| 21 (CH2) | 27.8 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 29.4 |
| 24 (CH3) | 14.2 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 18.2 |
| 29 (CH3) | 28.6 |
