Spektraris NMR
LongipedlactoneD
Common Name: LongipedlactoneD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-16-7-8-21(34-25(16)32)18(3)19-11-13-28(6)20(17(19)2)15-29(33)23(28)10-9-22-27(4,5)35-24(31)12-14-30(22)26(29)36-30/h7,11-12,14,18,20-23,26,33H,2,8-10,13,15H2,1,3-6H3/t18-,20+,21-,22+,23+,26-,28-,29-,30+/m1/s1
InChIKey: InChIKey=GQHIKDRJYUFCEK-JMZFCEMOSA-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) | 145.1 |
| 2 (CH) | 126.1 |
| 3 (C) | 165.6 |
| 4 (C) | 81.5 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 26.4 |
| 7 (CH2) | 24.9 |
| 8 (CH) | 56.3 |
| 9 (C) | 77.9 |
| 10 (C) | 62.4 |
| 11 (CH2) | 51 |
| 12 (CH) | 53.5 |
| 13 (C) | 148.5 |
| 14 (C) | 43.4 |
| 15 (CH2) | 37.3 |
| 16 (CH) | 125.4 |
| 17 (C) | 140.2 |
| 18 (CH2) | 108.2 |
| 19 (CH) | 67.1 |
| 20 (CH) | 40.1 |
| 21 (CH3) | 16.3 |
| 22 (CH) | 81.1 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 139.7 |
| 25 (C) | 128.1 |
| 26 (C) | 166 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 25 |
| 30 (CH3) | 27 |
