Spektraris NMR
Kadcoccilactones G
Common Name: Kadcoccilactones G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O8/c1-16-12-18(36-24(16)33)23(32)17(2)30-11-9-27(15-35-30)20-7-6-19-25(3,4)37-21-13-22(31)38-29(19,21)14-28(20,34)10-8-26(27,30)5/h12,17-21,23,32,34H,6-11,13-15H2,1-5H3/t17-,18+,19+,20+,21-,23+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=JMGKGIXAJGLKMN-OPKJVIMPSA-N
Formula: C30H42O8
Molecular Weight: 530.650828
Exact Mass: 530.287968
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Huang, S.X., Lu, Y., Lou, L.G., Li, R.T., Xiao, W.L., Chang, Y., Sun, H.D. J Nat Prod (2008) 71, 1182-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 81.9 |
| 2 (CH2) | 37 |
| 3 (C) | 175.4 |
| 4 (C) | 85.2 |
| 5 (CH) | 58.4 |
| 6 (CH2) | 28.5 |
| 7 (CH2) | 25.4 |
| 8 (CH) | 50.3 |
| 9 (C) | 72.7 |
| 10 (C) | 100.2 |
| 11 (CH2) | 38.7 |
| 12 (CH2) | 27.1 |
| 13 (C) | 49.9 |
| 14 (C) | 52.2 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 34.3 |
| 17 (C) | 89.7 |
| 18 (CH3) | 15.8 |
| 19 (CH2) | 47.7 |
| 20 (CH) | 40.3 |
| 21 (CH3) | 10.9 |
| 22 (CH) | 72 |
| 23 (CH) | 84.6 |
| 24 (CH) | 148.6 |
| 25 (C) | 130.3 |
| 26 (C) | 174.7 |
| 27 (CH3) | 10.7 |
| 28 (CH2) | 73.7 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 30.1 |
