Spektraris NMR
Schinol
Common Name: Schinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,22-,24-,25+,28+,29-,30+/m0/s1
InChIKey: InChIKey=UILQHUKSFUOOLH-ABWNVCESSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Makino, M., Motegi, T., Fujimoto, Y Phytochemistry (2004) 65, 891-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 31.9 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 73.5 |
| 4 (C) | 37.9 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 118.5 |
| 8 (C) | 146.5 |
| 9 (CH) | 49.1 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 34 |
| 13 (C) | 43.7 |
| 14 (C) | 51.5 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 53.2 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 13.4 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 36.2 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 142.6 |
| 25 (C) | 128.6 |
| 26 (CH3) | 21.5 |
| 27 (C) | 170.7 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 27.5 |
