Spektraris NMR
Neohop-13(18)-en-3?-ol
Common Name: Neohop-13(18)-en-3?-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23+,24-,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=HJJIKWDBPMITIM-NMNRCDLFSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Amaral, M.d.C.E., Faria, A.D., Magalhnes, A.F., Magalhes, E.G., Ruiz, A.L.T.G. Phytochem Anal (2004) 15, 125-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Neophanes; 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) | 39.02 |
| 2 (CH2) | 27.44 |
| 3 (CH) | 78.98 |
| 4 (C) | 38.87 |
| 5 (CH) | 55.65 |
| 6 (CH2) | 18.52 |
| 7 (CH2) | 34.53 |
| 8 (C) | 41.37 |
| 9 (CH) | 52.18 |
| 10 (C) | 37.46 |
| 11 (CH2) | 21.67 |
| 12 (CH2) | 26.65 |
| 13 (C) | 131.46 |
| 14 (C) | 42.16 |
| 15 (CH2) | 29.35 |
| 16 (CH2) | 37.9 |
| 17 (C) | 42.67 |
| 18 (C) | 141.83 |
| 19 (CH2) | 26.5 |
| 20 (CH2) | 27.57 |
| 21 (CH) | 59.17 |
| 22 (CH) | 29.88 |
| 23 (CH3) | 27.97 |
| 24 (CH3) | 15.41 |
| 25 (CH3) | 16.76 |
| 26 (CH3) | 18.62 |
| 27 (CH3) | 26.65 |
| 28 (CH3) | 17.85 |
| 29 (CH3) | 22.88 |
| 30 (CH3) | 23.08 |
