Spektraris NMR
CHEMBL1914946
Common Name: CHEMBL1914946
Synonyms: CHEMBL1914946
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-24(2)12-14-29(18-31)15-13-28(7)27(6)11-8-19-25(3,4)22(32)9-10-26(19,5)20(27)16-23(33)30(28,34)21(29)17-24/h16,19,21-23,31-34H,8-15,17-18H2,1-7H3/t19-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=MWEUPKDJGWHLEZ-GNYNGVDFSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.2 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.5 |
| 4 (C) | 36.7 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 33.2 |
| 8 (C) | 39.9 |
| 9 (C) | 154.8 |
| 10 (C) | 39.4 |
| 11 (CH) | 119.2 |
| 12 (CH) | 68.5 |
| 13 (C) | 77.8 |
| 14 (C) | 44.1 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 26.1 |
| 17 (C) | 44.5 |
| 18 (CH) | 39.8 |
| 19 (CH2) | 40.1 |
| 20 (C) | 31.2 |
| 21 (CH2) | 34 |
| 22 (CH2) | 34.3 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 24.4 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 22.3 |
| 28 (CH2) | 70.6 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 24.1 |
