Spektraris NMR
Longipedlactone J
Common Name: Longipedlactone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O7/c1-17-8-10-24(38-29(17)35)19(3)22-12-13-31(7)23(18(22)2)16-32(36)15-21-9-11-27(34)39-30(5,6)28(21)25(14-26(31)32)37-20(4)33/h8-9,11-12,15,19,23-26,28,36H,2,10,13-14,16H2,1,3-7H3/t19-,23+,24-,25-,26+,28+,31-,32-/m1/s1
InChIKey: InChIKey=VPYOIPWGVNGDBV-XVLJLTBWSA-N
Formula: C32H40O7
Molecular Weight: 536.657013
Exact Mass: 536.277404
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Yang, L.M., Xiao, W.L., Li, R.T., Lei, C., Gao, X.M., Huang, S.X., Li, S.H., Zheng, Y.T., Huang, H., Sun, H.D. Phytochemistry (2008) 69, 1266-72
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) | 145.7 |
| 2 (CH) | 119.2 |
| 3 (C) | 166.5 |
| 4 (C) | 79.8 |
| 5 (CH) | 50.4 |
| 6 (CH) | 68.9 |
| 7 (CH2) | 32 |
| 8 (CH) | 50.4 |
| 9 (C) | 79.2 |
| 10 (C) | 140.4 |
| 11 (CH2) | 51.2 |
| 12 (CH) | 53.1 |
| 13 (C) | 148.2 |
| 14 (C) | 43.6 |
| 15 (CH2) | 37.6 |
| 16 (CH) | 125.8 |
| 17 (C) | 140.2 |
| 18 (CH2) | 108.5 |
| 19 (CH) | 148.2 |
| 20 (CH) | 40 |
| 21 (CH3) | 15 |
| 22 (CH) | 80.7 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 139.5 |
| 25 (C) | 128.2 |
| 26 (C) | 166 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 26.1 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 27 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.1 |
