Spektraris NMR
Kadcoccilactone M
Common Name: Kadcoccilactone M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O7/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/h8-11,18-21,26,31,34H,6-7,12-13H2,1-5H3/t18-,19+,20-,21-,26+,28+,29+,30-/m0/s1
InChIKey: InChIKey=LHLZBWBHDQMMAW-FBKHRQBDSA-N
Formula: C30H34O7
Molecular Weight: 506.587897
Exact Mass: 506.230453
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) | 126.3 |
| 3 (C) | 165.6 |
| 4 (C) | 81.6 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 59.2 |
| 9 (C) | 77.4 |
| 10 (C) | 62.5 |
| 11 (CH2) | 50.2 |
| 12 (CH) | 48.7 |
| 13 (C) | 135.3 |
| 14 (C) | 39.7 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 65.1 |
| 17 (C) | 139.7 |
| 18 (CH) | 125.4 |
| 19 (CH) | 67 |
| 20 (C) | 125.1 |
| 21 (CH3) | 11.2 |
| 22 (C) | 149.6 |
| 23 (C) | 119.2 |
| 24 (CH) | 139.7 |
| 25 (C) | 125.1 |
| 26 (C) | 162.3 |
| 27 (CH3) | 17 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 25 |
| 30 (CH3) | 26.3 |
