Spektraris NMR
Neriifolione
Common Name: Neriifolione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h19,21-24,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=ZRDDQHIGRYPZAI-PYFPDXFRSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ilyas, M., Parveen, M., Amin, K.M.Y. Phytochemistry (1998) 48, 561-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 35.5 |
| 2 (CH2) | 33.53 |
| 3 (C) | 215.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 50.63 |
| 6 (CH2) | 20.91 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 47.51 |
| 9 (C) | 20.02 |
| 10 (C) | 26 |
| 11 (CH2) | 25.91 |
| 12 (CH2) | 36.24 |
| 13 (C) | 45.31 |
| 14 (C) | 48.6 |
| 15 (CH2) | 32.71 |
| 16 (CH2) | 26.52 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 29.61 |
| 20 (C) | 138.25 |
| 21 (CH2) | 113.21 |
| 22 (CH2) | 34.5 |
| 23 (CH2) | 25.1 |
| 24 (CH) | 76.3 |
| 25 (CH) | 30.51 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 22.71 |
| 28 (CH3) | 24.71 |
| 29 (CH3) | 19.42 |
| 30 (CH3) | 20.52 |
