Spektraris NMR
3α,4α-Epoxyrupicolin D
Common Name: 3α,4α-Epoxyrupicolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-9(2)17(21)24-12-7-10(3)20(23)8-13-19(5,26-13)16(20)15-14(12)11(4)18(22)25-15/h9,12-16,23H,3-4,6-8H2,1-2,5H3/t9?,12-,13+,14+,15-,16-,19+,20+/m0/s1
InChIKey: InChIKey=YDDMIPQMUZGAHW-FMPMKUPKSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jin, H.Z., Lee, J.H., Lee, D., Hong, Y.S., Kim, Y.H., Lee, J.J. Phytochemistry (2004) 65, 2247-53
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) | 82.02 |
| 2 (CH2) | 40.8 |
| 3 (CH) | 64.5 |
| 4 (C) | 67.62 |
| 5 (CH) | 61.26 |
| 6 (CH) | 75.47 |
| 7 (CH) | 46.66 |
| 8 (CH) | 73.18 |
| 9 (CH2) | 35.48 |
| 10 (C) | 140.92 |
| 11 (C) | 136.88 |
| 12 (C) | 168.78 |
| 13 (CH2) | 122.76 |
| 14 (CH2) | 118.23 |
| 15 (CH3) | 18.8 |
| 8a (C) | 176.02 |
| 8b (CH) | 41.73 |
| 8c (CH2) | 26.64 |
| 8d (CH3) | 12.04 |
| 8ba (CH3) | 16.93 |
