Spektraris NMR
chinenols B
Common Name: chinenols B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-12-9-17(32)28-8-7-27(6)26(5)11-15(30)18-14(3)19(33)16(31)10-25(18,4)22(26)20-23(35-20)29(27,36-24(28)34)21(28)13(12)2/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=QHUITOSJPIXNBH-LYOLCXSXSA-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) | 72.5 |
| 3 (CH) | 79.4 |
| 4 (C) | 149 |
| 5 (CH) | 52.2 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 38.4 |
| 8 (C) | 41.7 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.8 |
| 11 (CH) | 54.8 |
| 12 (CH) | 56.2 |
| 13 (C) | 88.4 |
| 14 (C) | 42.8 |
| 15 (CH2) | 26.2 |
| 16 (CH2) | 16.2 |
| 17 (C) | 49.8 |
| 18 (CH) | 59.9 |
| 19 (CH) | 36.7 |
| 20 (CH) | 38.6 |
| 21 (CH2) | 39.6 |
| 22 (CH) | 69.4 |
| 23 (CH2) | 108 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 21.3 |
| 27 (CH3) | 16.5 |
| 28 (C) | 178.2 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 19.2 |
