Spektraris NMR
Longipedlactone B
Common Name: Longipedlactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5/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/h7-8,12,15,19,21-25,33H,2,9-11,13-14,16H2,1,3-6H3/t19-,21-,22-,23+,24-,25+,29-,30-/m1/s1
InChIKey: InChIKey=NHRSXCUUAIYPDX-SSFSOOTESA-N
Formula: C30H40O5
Molecular Weight: 480.636732
Exact Mass: 480.287574
NMR Solvent: CD3OD
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) | 146.6 |
| 2 (CH) | 118.6 |
| 3 (C) | 169.5 |
| 4 (C) | 82.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 29.4 |
| 8 (CH) | 55 |
| 9 (C) | 80.9 |
| 10 (C) | 146.9 |
| 11 (CH2) | 48.5 |
| 12 (CH) | 54.5 |
| 13 (C) | 149.2 |
| 14 (C) | 45.1 |
| 15 (CH2) | 36 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 44.5 |
| 18 (CH2) | 115.6 |
| 19 (CH) | 148.5 |
| 20 (CH) | 42.2 |
| 21 (CH3) | 13.7 |
| 22 (CH) | 81.2 |
| 23 (CH2) | 24.7 |
| 24 (CH) | 142.1 |
| 25 (C) | 128.7 |
| 26 (C) | 168.6 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 26.3 |
