Spektraris NMR
Schindilactone E
Common Name: Schindilactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-11-16-19-18(12(2)23(34)36-19)38-29-20(16)25(5,21(11)32)6-7-26(40-29)10-27-14(8-13(30)17(26)22(29)33)24(3,4)39-28(27,35)9-15(31)37-27/h11-14,16-20,30,35H,6-10H2,1-5H3/t11-,12+,13+,14+,16-,17+,18-,19-,20+,25+,26+,27-,28-,29+/m1/s1
InChIKey: InChIKey=JVQYUHBFNHCLAV-GBXZOVAXSA-N
Formula: C29H36O11
Molecular Weight: 560.590662
Exact Mass: 560.225762
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Han, Q.B., Lei, C., Pu, J.X., Xiao, W.L., Yu, J.L., Yang, L.M., Xu, H.X., Zheng, Y.T., Sun, H.D. Tetrahedron (2008) 64, 4260-7
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 (C) | 108.8 |
| 2 (CH2) | 43.1 |
| 3 (C) | 173.4 |
| 4 (C) | 84.7 |
| 5 (CH) | 58.3 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 68.8 |
| 8 (CH) | 60.5 |
| 9 (C) | 81.8 |
| 10 (C) | 97.4 |
| 11 (CH2) | 41.5 |
| 12 (CH2) | 30.5 |
| 13 (C) | 49.9 |
| 14 (C) | 209.5 |
| 15 (C) | 98.1 |
| 16 (CH) | 45.8 |
| 17 (C) | 221.6 |
| 18 (CH3) | 26 |
| 19 (CH2) | 40.8 |
| 20 (CH) | 33.3 |
| 21 (CH3) | 12.4 |
| 22 (CH) | 41.3 |
| 23 (CH) | 75 |
| 24 (CH) | 71.7 |
| 25 (CH) | 42.2 |
| 26 (C) | 177.8 |
| 27 (CH3) | 8 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 25.4 |
