Spektraris NMR
nepeticin
Common Name: nepeticin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=CTSXUIWIOTUWDC-HWCYQCNYSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ahmed V. U., Bano S., Voelter W., Fuchs W. Tetrahedron Lett (1981) 22, 1715
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 (CH2) | 39 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 35.3 |
| 8 (C) | 41.1 |
| 9 (CH) | 55.7 |
| 10 (C) | 37.7 |
| 11 (CH) | 70.5 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43 |
| 18 (CH) | 47.7 |
| 19 (CH) | 47.7 |
| 20 (C) | 150.2 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.4 |
