Spektraris NMR
Elescaberin
Common Name: Elescaberin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-6-11(4)18(24)27-13-9-20(7-8-26-19(20)25)15(10(2)3)16(21)14(13)12(5)17(22)23/h6-8,13-16,21H,2,5,9H2,1,3-4H3,(H,22,23)/b11-6-/t13-,14+,15+,16-,20-/m0/s1
InChIKey: InChIKey=WLXKANDYJYHWJA-MOJBDTTLSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liang, Q.L., Min, Z.D., Tang, Y.P. J Asian Nat Prod Res (2008) 10, 403-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 115.6 |
| 2 (CH) | 141.4 |
| 3 (CH2) | 114 |
| 4 (C) | 142.3 |
| 5 (CH) | 55.4 |
| 6 (CH) | 68.8 |
| 7 (CH) | 50.2 |
| 8 (CH) | 69.1 |
| 9 (CH2) | 37.3 |
| 10 (C) | 51 |
| 11 (C) | 140.8 |
| 12 (C) | 167.8 |
| 13 (CH2) | 125 |
| 14 (C) | 179.3 |
| 15 (CH3) | 22.9 |
| 8a (C) | 166.2 |
| 8b (C) | 127.2 |
| 8c (CH) | 137.2 |
| 8d (CH3) | 15.3 |
| 8e (CH3) | 20 |
