Spektraris NMR
Nepetidin
Common Name: Nepetidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17(2)18-9-11-27(5)13-14-28(6)19(24(18)27)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h18-25,31-33H,1,9-16H2,2-8H3/t18-,19+,20+,21-,22-,23+,24+,25-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ZTOJWRKUTVFORP-AMZTXIEOSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 66.6 |
| 2 (CH2) | 36.2 |
| 3 (CH) | 75.1 |
| 4 (C) | 40 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.8 |
| 8 (C) | 42.7 |
| 9 (CH) | 53.5 |
| 10 (C) | 46.3 |
| 11 (CH) | 76.5 |
| 12 (CH2) | 35.1 |
| 13 (CH) | 36.2 |
| 14 (C) | 43.1 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 37.9 |
| 17 (C) | 43.2 |
| 18 (CH) | 48.7 |
| 19 (CH) | 48.2 |
| 20 (C) | 150.6 |
| 21 (CH2) | 28 |
| 22 (CH2) | 40.1 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 14.4 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 18.3 |
| 29 (CH2) | 110.3 |
| 30 (CH3) | 19.4 |
