Spektraris NMR
LongipedlactoneC
Common Name: LongipedlactoneC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O6/c1-17-7-10-23(35-26(17)32)19(3)30(34)14-13-28(6)22(18(30)2)16-29(33)15-20-8-12-25(31)36-27(4,5)21(20)9-11-24(28)29/h7-8,12,15,19,21-24,33-34H,2,9-11,13-14,16H2,1,3-6H3/t19-,21+,22-,23+,24-,28+,29+,30-/m0/s1
InChIKey: InChIKey=ORWYYJLUJLOTPL-MWRQJCARSA-N
Formula: C30H40O6
Molecular Weight: 496.636137
Exact Mass: 496.282489
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) | 119.3 |
| 3 (C) | 166.6 |
| 4 (C) | 80.3 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 54.5 |
| 9 (C) | 79.7 |
| 10 (C) | 145.8 |
| 11 (CH2) | 48.3 |
| 12 (CH) | 53.7 |
| 13 (C) | 153.4 |
| 14 (C) | 44.9 |
| 15 (CH2) | 34.2 |
| 16 (CH2) | 35.1 |
| 17 (C) | 75.3 |
| 18 (CH2) | 115.6 |
| 19 (CH) | 147.3 |
| 20 (CH) | 44.3 |
| 21 (CH3) | 9.5 |
| 22 (CH) | 79.7 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 141.4 |
| 25 (C) | 127.6 |
| 26 (C) | 166.6 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 25.9 |
