Spektraris NMR
LongipedlactoneE
Common Name: LongipedlactoneE
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-16-13-23(31)26(35-27(16)33)18(3)20-11-12-29(6)22(17(20)2)15-30(34)14-19-7-10-25(32)36-28(4,5)21(19)8-9-24(29)30/h7,10-11,13-14,18,21-24,26,31,34H,2,8-9,12,15H2,1,3-6H3/t18-,21-,22+,23+,24+,26+,29-,30-/m1/s1
InChIKey: InChIKey=NJHQJHDTYYVRFQ-XSJJJNEFSA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Li, R.T., Xiao, W.L., Gong, N.B., Huang, S.X., Lu, Y., Zheng, Q.T., Lou, L.G., Sun, H.D. Tetrahedron (2006) 62, 6073-81
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) | 166.5 |
| 4 (C) | 79.8 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 56.2 |
| 9 (C) | 79.8 |
| 10 (C) | 144.6 |
| 11 (CH2) | 51 |
| 12 (CH) | 53.5 |
| 13 (C) | 148.6 |
| 14 (C) | 44.2 |
| 15 (CH2) | 37.5 |
| 16 (CH) | 127 |
| 17 (C) | 140.4 |
| 18 (CH2) | 108.1 |
| 19 (CH) | 148 |
| 20 (CH) | 38.6 |
| 21 (CH3) | 16.6 |
| 22 (CH) | 86.2 |
| 23 (CH) | 63.3 |
| 24 (CH) | 144.6 |
| 25 (C) | 127.4 |
| 26 (C) | 164.8 |
| 27 (CH3) | 17 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 26.3 |
| 30 (CH3) | 27.5 |
