Spektraris NMR
ligulolide D
Common Name: ligulolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O4/c1-15-9-7-11-19-13-29-21(18(4)26(32)34-29)23(27(15,19)5)24-17(3)22-25(31)28(6)16(2)10-8-12-20(28)14-30(22,29)33-24/h12-13,15-16,23-25,31H,7-11,14H2,1-6H3/t15-,16+,23-,24+,25-,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=IMBCDODBZZTARO-YFNDYSSZSA-N
Formula: C30H38O4
Molecular Weight: 462.621445
Exact Mass: 462.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X., Wu, Q.X., Wei, X.N., Shi, Y.P. Helv Chim Acta (2007) 90, 1802-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) | 32.3 |
| 2 (CH2) | 27 |
| 3 (CH2) | 30.6 |
| 4 (CH) | 35.8 |
| 5 (C) | 47.1 |
| 6 (CH) | 45.7 |
| 7 (C) | 164.5 |
| 8 (C) | 85.3 |
| 9 (CH) | 116.5 |
| 10 (C) | 151.9 |
| 11 (C) | 116.2 |
| 12 (C) | 175 |
| 13 (CH3) | 7.6 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 15.2 |
| 1' (CH) | 126.9 |
| 2' (CH2) | 22.7 |
| 3' (CH2) | 26.6 |
| 4' (CH) | 33.2 |
| 5' (C) | 44.2 |
| 6' (CH) | 77 |
| 7' (C) | 137.6 |
| 8' (C) | 88.5 |
| 9' (CH2) | 37.1 |
| 10' (C) | 135.2 |
| 11' (C) | 135.9 |
| 12' (CH) | 83.7 |
| 13' (CH3) | 11.1 |
| 14' (CH3) | 14.9 |
| 15' (CH3) | 16.6 |
