Spektraris NMR
Kadcoccilactone O
Common Name: Kadcoccilactone O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O7/c1-15-10-18-12-29(34)21-13-28(33)11-17-6-9-23(31)37-26(3,4)19(17)7-8-20(28)27(21,5)14-22-30(29,36-22)16(2)24(18)35-25(15)32/h6,9-12,16,19-22,24,33-34H,7-8,13-14H2,1-5H3/t16-,19-,20+,21-,22+,24+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=RPWSLVSSXLPIGH-REMUIGNESA-N
Formula: C30H36O7
Molecular Weight: 508.603779
Exact Mass: 508.246104
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) | 144.2 |
| 2 (CH) | 119.2 |
| 3 (C) | 166.4 |
| 4 (C) | 80.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 50.8 |
| 9 (C) | 79.6 |
| 10 (C) | 145.5 |
| 11 (CH2) | 44 |
| 12 (CH) | 57.6 |
| 13 (C) | 72.8 |
| 14 (C) | 45.8 |
| 15 (CH2) | 37.5 |
| 16 (CH) | 58.7 |
| 17 (C) | 63 |
| 18 (CH) | 132.1 |
| 19 (CH) | 149.7 |
| 20 (CH) | 39.4 |
| 21 (CH3) | 12.7 |
| 22 (CH) | 77.2 |
| 23 (C) | 129.5 |
| 24 (CH) | 139 |
| 25 (C) | 128.2 |
| 26 (C) | 164.9 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 28.4 |
