Spektraris NMR
Kadcoccilactones J
Common Name: Kadcoccilactones J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O10/c1-11-5-15(34-23(11)32)21-12(2)13-6-19-28(36-19)22-14(29)7-16-24(3,4)35-18-8-20(31)37-26(16,18)10-25(22,33)9-17(30)27(13,28)38-21/h5,12-19,21-22,29-30,33H,6-10H2,1-4H3/t12-,13+,14+,15-,16-,17-,18+,19-,21-,22+,25-,26+,27+,28+/m0/s1
InChIKey: InChIKey=QVDSQJYLZJYHMK-JWQZLAEKSA-N
Formula: C28H36O10
Molecular Weight: 532.580522
Exact Mass: 532.230847
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) | 35.7 |
| 3 (C) | 175 |
| 4 (C) | 84.3 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 33.2 |
| 7 (CH) | 69.2 |
| 8 (CH) | 46.7 |
| 9 (C) | 78.6 |
| 10 (C) | 98.6 |
| 11 (CH2) | 42.6 |
| 12 (CH) | 70.2 |
| 13 (C) | 92.1 |
| 14 (C) | 70.8 |
| 15 (CH) | 55.2 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 43 |
| 19 (CH2) | 46.6 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 11.6 |
| 22 (CH) | 84.4 |
| 23 (CH) | 81.1 |
| 24 (CH) | 147 |
| 25 (C) | 130.6 |
| 26 (C) | 174.2 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 22.2 |
