Spektraris NMR
Adiantulupanone
Common Name: Adiantulupanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O/c1-19(30)20-11-15-26(4)17-18-28(6)21(24(20)26)9-10-23-27(5)14-8-13-25(2,3)22(27)12-16-29(23,28)7/h20-24H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,26+,27-,28+,29+/m0/s1
InChIKey: InChIKey=WITVYVWRRGIEDG-DVLMBPTHSA-N
Formula: C29H48O1
Molecular Weight: 412.691902
Exact Mass: 412.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alam, M.S., Chopra, N., Ali, M., Niwa, M. Phytochemistry (2000) 54, 215-20
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) | 41.24 |
| 2 (CH2) | 24.06 |
| 3 (CH2) | 42.05 |
| 4 (C) | 33.39 |
| 5 (CH) | 56.05 |
| 6 (CH2) | 18.65 |
| 7 (CH2) | 33.35 |
| 8 (C) | 41.87 |
| 9 (CH) | 50.28 |
| 10 (C) | 37.36 |
| 11 (CH2) | 20.82 |
| 12 (CH2) | 22.15 |
| 13 (CH) | 48.9 |
| 14 (C) | 44.76 |
| 15 (CH2) | 41.24 |
| 16 (CH2) | 33.22 |
| 17 (C) | 41.87 |
| 18 (CH) | 53.93 |
| 19 (CH) | 53.62 |
| 20 (C) | 210.71 |
| 21 (CH2) | 22.91 |
| 22 (CH2) | 40.27 |
| 23 (CH3) | 33.36 |
| 24 (CH3) | 21.56 |
| 25 (CH3) | 16.58 |
| 26 (CH3) | 15.84 |
| 27 (CH3) | 14.58 |
| 28 (CH3) | 16.63 |
| 29 (CH3) | 30.92 |
