Spektraris NMR
Kadcoccilactone K
Common Name: Kadcoccilactone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O7/c1-15-11-17-12-19-21-13-31(35)23(30(21,5)14-22(32)25(19)16(2)26(17)37-28(15)34)9-8-20-18(27(31)36-6)7-10-24(33)38-29(20,3)4/h7,11-12,20-23,27,32,35H,8-10,13-14H2,1-6H3/t20-,21+,22-,23+,27-,30-,31-/m1/s1
InChIKey: InChIKey=NEXQJZVOIAUZAP-HQGOYBPFSA-N
Formula: C31H38O7
Molecular Weight: 522.630396
Exact Mass: 522.261754
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) | 118.9 |
| 2 (CH2) | 38 |
| 3 (C) | 171.3 |
| 4 (C) | 83.5 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 31 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 54.3 |
| 9 (C) | 83.3 |
| 10 (C) | 140.9 |
| 11 (CH2) | 48 |
| 12 (CH) | 48.8 |
| 13 (C) | 138.7 |
| 14 (C) | 40.4 |
| 15 (CH2) | 43.5 |
| 16 (CH) | 65.4 |
| 17 (C) | 140.9 |
| 18 (CH) | 125.4 |
| 19 (CH) | 94.4 |
| 20 (C) | 124.8 |
| 21 (CH3) | 10.9 |
| 22 (C) | 149.6 |
| 23 (C) | 118.2 |
| 24 (CH) | 139.9 |
| 25 (C) | 124.8 |
| 26 (C) | 162.4 |
| 27 (CH3) | 17 |
| 28 (CH3) | 27 |
| 29 (CH3) | 27.8 |
| 30 (CH3) | 28.6 |
| 19a (CH3) | 58.5 |
