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-UDVSOGQESA-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) | 33.62 |
| 2 (CH2) | 29.35 |
| 3 (CH) | 76.19 |
| 4 (C) | 37.56 |
| 5 (CH) | 49.29 |
| 6 (CH2) | 18.47 |
| 7 (CH2) | 34.33 |
| 8 (C) | 41.43 |
| 9 (CH) | 51.98 |
| 10 (C) | 37.56 |
| 11 (CH2) | 21.49 |
| 12 (CH2) | 26.63 |
| 13 (C) | 131.55 |
| 14 (C) | 42.34 |
| 15 (CH2) | 29.26 |
| 16 (CH2) | 37.91 |
| 17 (C) | 42.65 |
| 18 (C) | 141.16 |
| 19 (CH2) | 26.46 |
| 20 (CH2) | 27.54 |
| 21 (CH) | 59.16 |
| 22 (CH) | 29.79 |
| 23 (CH3) | 28.16 |
| 24 (CH3) | 22.13 |
| 25 (CH3) | 16.55 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 26.77 |
| 28 (CH3) | 17.83 |
| 29 (CH3) | 22.86 |
| 30 (CH3) | 23.07 |
