Spektraris NMR
Longipedlactone I
Common Name: Longipedlactone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O5/c1-17-7-10-24(34-27(17)32)19(3)21-13-14-29(6)23(18(21)2)16-30(33)15-20-8-12-26(31)35-28(4,5)22(20)9-11-25(29)30/h7-8,12-13,15,19,22-25,33H,2,9-11,14,16H2,1,3-6H3/t19-,22-,23+,24-,25+,29-,30-/m1/s1
InChIKey: InChIKey=HPMBMZUDXWXFOU-QSISBBOKSA-N
Formula: C30H38O5
Molecular Weight: 478.62085
Exact Mass: 478.271924
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 : 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) | 146.8 |
| 2 (CH) | 118.5 |
| 3 (C) | 169.5 |
| 4 (C) | 82.5 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 29.5 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 57.4 |
| 9 (C) | 80.8 |
| 10 (C) | 146.5 |
| 11 (CH2) | 51.7 |
| 12 (CH) | 54.1 |
| 13 (C) | 149.7 |
| 14 (C) | 44.9 |
| 15 (CH2) | 38.1 |
| 16 (CH) | 126.7 |
| 17 (C) | 141.7 |
| 18 (CH2) | 108.2 |
| 19 (CH) | 149.1 |
| 20 (CH) | 41.1 |
| 21 (CH3) | 15.8 |
| 22 (CH) | 82.5 |
| 23 (CH2) | 27.5 |
| 24 (CH) | 141.6 |
| 25 (C) | 128.9 |
| 26 (C) | 168.2 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 26 |
| 29 (CH3) | 29.3 |
| 30 (CH3) | 27.4 |
