Spektraris NMR
Longipedlactone I
Common Name: Longipedlactone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O8/c1-15-7-8-20(36-24(15)33)17(3)28(34)12-11-27(6)18(16(28)2)14-29(35)21(27)13-19(31)23-26(4,5)37-22(32)9-10-30(23)25(29)38-30/h7,9-10,17-21,23,25,31,34-35H,2,8,11-14H2,1,3-6H3/t17-,18-,19+,20+,21-,23-,25+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=UXMLFMZVVWDUFA-XPVDLBESSA-N
Formula: C30H40O8
Molecular Weight: 528.634946
Exact Mass: 528.272318
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) | 146.7 |
| 2 (CH) | 126.8 |
| 3 (C) | 166.6 |
| 4 (C) | 81 |
| 5 (CH) | 53.5 |
| 6 (CH) | 66.1 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 47.3 |
| 9 (C) | 78.3 |
| 10 (C) | 61 |
| 11 (CH2) | 48.2 |
| 12 (CH) | 54.8 |
| 13 (C) | 153.3 |
| 14 (C) | 43.4 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 35.6 |
| 17 (C) | 75.3 |
| 18 (CH2) | 115.5 |
| 19 (CH) | 66.7 |
| 20 (CH) | 43.4 |
| 21 (CH3) | 9.5 |
| 22 (CH) | 79.5 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 141.3 |
| 25 (C) | 127.7 |
| 26 (C) | 166.5 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 26 |
| 30 (CH3) | 25.8 |
