Spektraris NMR
Kadcoccilactone N
Common Name: Kadcoccilactone N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O7/c1-14-10-16-11-17-18-12-29(34)21(28(18,5)13-19(31)23(17)15(2)24(16)35-25(14)33)7-6-20-27(3,4)36-22(32)8-9-30(20)26(29)37-30/h8-10,15-16,18-21,24,26,31,34H,6-7,11-13H2,1-5H3/t15-,16+,18-,19+,20-,21-,24-,26+,28+,29+,30-/m0/s1
InChIKey: InChIKey=JRBADSMYLQHZCO-FNSBXKQRSA-N
Formula: C30H38O7
Molecular Weight: 510.61966
Exact Mass: 510.261754
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) | 144.8 |
| 2 (CH) | 126.2 |
| 3 (C) | 165.5 |
| 4 (C) | 81.5 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 24.8 |
| 8 (CH) | 55.5 |
| 9 (C) | 77.3 |
| 10 (C) | 62.3 |
| 11 (CH2) | 47.3 |
| 12 (CH) | 52.1 |
| 13 (C) | 132.3 |
| 14 (C) | 41 |
| 15 (CH2) | 44.6 |
| 16 (CH) | 64 |
| 17 (C) | 131.3 |
| 18 (CH2) | 31.9 |
| 19 (CH) | 67.9 |
| 20 (CH) | 34.4 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 80 |
| 23 (CH) | 33.2 |
| 24 (CH) | 146 |
| 25 (C) | 127.9 |
| 26 (C) | 166.6 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 25 |
| 30 (CH3) | 26.4 |
