Spektraris NMR
Epiglochidiol diacetate
Common Name: Epiglochidiol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O4/c1-20(2)23-13-15-31(7)17-18-32(8)24(29(23)31)11-12-26-33(32,9)16-14-25-30(5,6)27(37-21(3)35)19-28(34(25,26)10)38-22(4)36/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26-,27-,28+,29+,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=PUJKRJBNTXQYSO-NIFDHWSYSA-N
Formula: C34H54O4
Molecular Weight: 526.791441
Exact Mass: 526.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ayer W.A., Flanagan R.J., Reffstrup T. Tetrahedron (1984) 40, 2069
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 80.3 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 78.4 |
| 4 (C) | 37.8 |
| 5 (CH) | 53 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 34 |
| 8 (C) | 41.3 |
| 9 (CH) | 51 |
| 10 (C) | 42.2 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 25 |
| 13 (CH) | 37.4 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.6 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.2 |
| 19 (CH) | 48 |
| 20 (C) | 150.6 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 40 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16 |
| 25 (CH3) | 13.2 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.2 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.8 |
| 3a (C) | 182.5 |
| 3b (CH3) | 21.1 |
