Spektraris NMR
Oligandrumin E
Common Name: Oligandrumin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O7/c1-8-14(9-3-5-10(20-2)6-4-9)23-15-13(19)12(18)11(7-17)22-16(15)21-8/h3-6,8,11-19H,7H2,1-2H3/t8-,11+,12+,13-,14+,15-,16-/m0/s1
InChIKey: InChIKey=USUWYXHMWYBKFQ-VKUPVEMESA-N
Formula: C16H22O7
Molecular Weight: 326.342305
Exact Mass: 326.136553
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhu, Q., Tang, C.P., Ke, C.Q., Wang, W., Zhang, H.Y., Ye, Y. J Nat Prod (2009) 72, 238-42
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 130.8 |
| 2 (CH) | 129.7 |
| 3 (CH) | 114.2 |
| 4 (C) | 160.2 |
| 5 (CH) | 114.2 |
| 6 (CH) | 129.7 |
| 7 (CH) | 84 |
| 8 (CH) | 76.8 |
| 9 (CH3) | 17.1 |
| 1' (CH) | 99.4 |
| 2' (CH) | 81.2 |
| 3' (CH) | 74.9 |
| 4' (CH) | 71.8 |
| 5' (CH) | 80.3 |
| 6' (CH2) | 62.6 |
| 4a (CH3) | 55.2 |
