Spektraris NMR
Dichrocepholide E
Common Name: Dichrocepholide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O9/c1-15-5-7-17-18(24(33)38-22(17)26(3)20(31)10-13-29(15,26)36)9-12-28(35)19-8-6-16(2)30(37)14-11-21(32)27(30,4)23(19)39-25(28)34/h10-11,13-16,19,22-23,35-37H,5-9,12H2,1-4H3/t15-,16-,19+,22+,23+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=NZGQMNYPKYMLPD-UFFKBGKSSA-N
Formula: C30H36O9
Molecular Weight: 540.602588
Exact Mass: 540.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Abdel-Halim, O.B., Matsuda, H., Ando, S., Muraoka, O., Yoshikawa, M. Tetrahedron (2006) 62, 6435-42
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 85.6 |
| 2 (CH) | 166.3 |
| 3 (CH) | 131.5 |
| 4 (C) | 213.5 |
| 5 (C) | 60.3 |
| 6 (CH) | 79.4 |
| 7 (CH) | 51.9 |
| 8 (CH2) | 38 |
| 9 (CH2) | 32.3 |
| 10 (CH) | 41.4 |
| 11 (C) | 77 |
| 12 (C) | 179.8 |
| 13 (CH2) | 20.3 |
| 14 (CH3) | 18.2 |
| 15 (CH3) | 21 |
| 1' (C) | 84.5 |
| 2' (CH) | 163.9 |
| 3' (CH) | 130.8 |
| 4' (C) | 211.4 |
| 5' (C) | 57.4 |
| 6' (CH) | 83.6 |
| 7' (C) | 166.5 |
| 8' (CH2) | 25.1 |
| 9' (CH2) | 33.1 |
| 10' (CH) | 41.2 |
| 11' (C) | 127.9 |
| 12' (C) | 176.8 |
| 13' (CH2) | 18.4 |
| 14' (CH3) | 18.7 |
| 15' (CH3) | 15.2 |
