Spektraris NMR
chinenols C
Common Name: chinenols C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-12-7-8-28-10-9-26(5)27(6)21(19-23(35-19)29(26,36-24(28)34)20(28)13(12)2)25(4)11-15(30)17(31)14(3)16(25)18(32)22(27)33/h12-13,15-23,30-33H,3,7-11H2,1-2,4-6H3/t12-,13+,15-,16-,17-,18+,19+,20-,21-,22+,23+,25+,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=AHXPXQSETZWSNZ-VWJPVILASA-N
Formula: C29H42O7
Molecular Weight: 502.640687
Exact Mass: 502.293054
NMR Solvent: C5D5N
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) | 49.4 |
| 2 (CH) | 72.9 |
| 3 (CH) | 79.6 |
| 4 (C) | 148.9 |
| 5 (CH) | 51.7 |
| 6 (CH) | 73.9 |
| 7 (CH) | 71.8 |
| 8 (C) | 47.4 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.8 |
| 11 (CH) | 55 |
| 12 (CH) | 56.9 |
| 13 (C) | 89.6 |
| 14 (C) | 43.7 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 23.4 |
| 17 (C) | 45.7 |
| 18 (CH) | 60.8 |
| 19 (CH) | 38.1 |
| 20 (CH) | 40.5 |
| 21 (CH2) | 31 |
| 22 (CH2) | 32 |
| 23 (CH2) | 108 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 17 |
| 27 (CH3) | 17.5 |
| 28 (C) | 179.1 |
| 29 (CH3) | 18 |
| 30 (CH3) | 19.7 |
