Spektraris NMR
chinenols A
Common Name: chinenols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O6/c1-13-7-8-28-10-9-27(6)26(5)12-16(30)18-15(3)19(32)17(31)11-25(18,4)22(26)20-23(34-20)29(27,35-24(28)33)21(28)14(13)2/h13-14,16-23,30-32H,3,7-12H2,1-2,4-6H3/t13-,14+,16-,17-,18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=GHRQIBWIWKHOMI-LMNIETLWSA-N
Formula: C29H42O6
Molecular Weight: 486.641282
Exact Mass: 486.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lai, G.F., Wang, Y.F., Lu, C.H., Cao, J.X., Xu, Y.L., Luo, S.D. Helv Chim Acta (2003) 86, 2136-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 47.5 |
| 2 (CH) | 71.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 145.9 |
| 5 (CH) | 51.5 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 37.4 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.7 |
| 10 (C) | 37 |
| 11 (CH) | 54.4 |
| 12 (CH) | 55.8 |
| 13 (C) | 89.4 |
| 14 (C) | 41.2 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 22.4 |
| 17 (C) | 45 |
| 18 (CH) | 60.4 |
| 19 (CH) | 37.2 |
| 20 (CH) | 39.2 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 30.9 |
| 23 (CH2) | 107.8 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 20.7 |
| 27 (CH3) | 16.5 |
| 28 (C) | 179.8 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 19 |
