Spektraris NMR
CHEMBL468165
Common Name: CHEMBL468165
Synonyms: CHEMBL468165
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-15-17-30(8)24-13-11-22-23(12-14-25(31)27(22,4)5)28(24,6)18-19-29(21,30)7/h9,11,13,16,20-21,24-25,31-32H,10,12,14-15,17-19H2,1-8H3/b16-9+/t20-,21-,24-,25+,28+,29-,30+/m1/s1
InChIKey: InChIKey=MNIOCWIESUAIEQ-HVVQIFGZSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Chen, C.R., Liao, Y.W., Cheng, H.L., Chen, Y.C., Chou, C.H. J Nat Prod (2008) 71, 1327-30
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 23.5 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 75.7 |
| 4 (C) | 37.9 |
| 5 (C) | 131.8 |
| 6 (CH) | 125.4 |
| 7 (CH) | 125.7 |
| 8 (CH) | 45.9 |
| 9 (C) | 36.4 |
| 10 (C) | 135.7 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 32 |
| 13 (C) | 48.7 |
| 14 (C) | 45.5 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 29.8 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 39.1 |
| 23 (CH) | 125.4 |
| 24 (CH) | 139.4 |
| 25 (C) | 70.7 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 29.8 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 16.1 |
