Spektraris NMR
Kadlongilactone E
Common Name: Kadlongilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O6/c1-16-11-19-12-20-22-14-31(34)13-18-7-10-25(32)37-29(3,4)21(18)8-9-24(31)30(22,5)15-23(35-6)26(20)17(2)27(19)36-28(16)33/h7,10-11,13,17,19,21-24,27,34H,8-9,12,14-15H2,1-6H3/t17-,19+,21+,22-,23-,24-,27-,30+,31+/m0/s1
InChIKey: InChIKey=CFDFOUVGATVVRB-ZOLPLMAJSA-N
Formula: C31H40O6
Molecular Weight: 508.646873
Exact Mass: 508.282489
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Huang, S.X., Ren, J., Xiao, W.L., Li, L.M., Li, R.T., Li, L.B., Liao, T.G., Lou, L.G., Zhu, H.J., Sun, H.D. J Nat Prod (2007) 70, 1706-11
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) | 119.1 |
| 3 (C) | 166.6 |
| 4 (C) | 80.2 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 53.8 |
| 9 (C) | 79.6 |
| 10 (C) | 145.9 |
| 11 (CH2) | 52.3 |
| 12 (CH) | 50.6 |
| 13 (C) | 137.8 |
| 14 (C) | 42.4 |
| 15 (CH2) | 35.4 |
| 16 (CH) | 76.8 |
| 17 (C) | 127.8 |
| 18 (CH2) | 32.6 |
| 19 (CH) | 148.4 |
| 20 (CH) | 37 |
| 21 (CH3) | 14 |
| 22 (CH) | 79.5 |
| 23 (CH) | 33.2 |
| 24 (CH) | 145.9 |
| 25 (C) | 127.7 |
| 26 (C) | 166.6 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 29.4 |
| 30 (CH3) | 29.9 |
| 16a (CH3) | 55.2 |
