Spektraris NMR
Kadcoccilactone Q
Common Name: Kadcoccilactone Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-17-7-8-21(35-24(17)33)28(6,34)19-9-11-26(4)20-15-18(31)23-25(2,3)36-22(32)10-12-30(23)16-29(20,30)14-13-27(19,26)5/h7,10,12,18-21,23,31,34H,8-9,11,13-16H2,1-6H3/t18-,19+,20+,21-,23+,26+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=XYEDKUVFIZKJOE-FVQDMYIDSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Xiao, W.L., Huang, S.X., Lou, L.G., Sun, H.D. Tetrahedron (2008) 64, 11673-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 152.2 |
| 2 (CH) | 119.9 |
| 3 (C) | 167.2 |
| 4 (C) | 84.8 |
| 5 (CH) | 49.3 |
| 6 (CH) | 65.8 |
| 7 (CH2) | 35.5 |
| 8 (CH) | 39.6 |
| 9 (C) | 28.4 |
| 10 (C) | 32.7 |
| 11 (CH2) | 29 |
| 12 (CH2) | 33.6 |
| 13 (C) | 48.6 |
| 14 (C) | 46.5 |
| 15 (CH2) | 33.5 |
| 16 (CH2) | 22.2 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 20 |
| 19 (CH2) | 37.5 |
| 20 (C) | 75.1 |
| 21 (CH3) | 21 |
| 22 (CH) | 84.1 |
| 23 (CH2) | 26 |
| 24 (CH) | 140.1 |
| 25 (C) | 127.9 |
| 26 (C) | 166.1 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 24.5 |
| 30 (CH3) | 20.7 |
