Spektraris NMR
Kadcoccilactone L
Common Name: Kadcoccilactone L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-12,20-23,31,34H,7-8,13-14H2,1-5H3/t20-,21+,22-,23+,29-,30-/m1/s1
InChIKey: InChIKey=DMOCICSLTAAKOU-VBLYNVHQSA-N
Formula: C30H34O6
Molecular Weight: 490.588492
Exact Mass: 490.235539
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 (CH) | 119.1 |
| 3 (C) | 166.5 |
| 4 (C) | 80.4 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 22.9 |
| 8 (CH) | 59.3 |
| 9 (C) | 79 |
| 10 (C) | 146.1 |
| 11 (CH2) | 50.9 |
| 12 (CH) | 47.6 |
| 13 (C) | 136.3 |
| 14 (C) | 40.1 |
| 15 (CH2) | 44.8 |
| 16 (CH) | 65.2 |
| 17 (C) | 140.1 |
| 18 (CH) | 125.3 |
| 19 (CH) | 147.4 |
| 20 (C) | 125 |
| 21 (CH3) | 11.2 |
| 22 (C) | 149.4 |
| 23 (C) | 119.3 |
| 24 (CH) | 139.7 |
| 25 (C) | 124.9 |
| 26 (C) | 162.3 |
| 27 (CH3) | 17 |
| 28 (CH3) | 31.4 |
| 29 (CH3) | 30.4 |
| 30 (CH3) | 26.7 |
