Spektraris NMR
6,8-Diacetylharpagide
Common Name: 6,8-Diacetylharpagide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O12/c1-8(21)28-11-6-18(3,31-9(2)22)15-17(27-5-4-19(11,15)26)30-16-14(25)13(24)12(23)10(7-20)29-16/h4-5,10-17,20,23-26H,6-7H2,1-3H3/t10-,11-,12-,13+,14-,15-,16+,17+,18+,19-/m1/s1
InChIKey: InChIKey=AWUXVHWNYOXMDV-MZBWXWMBSA-N
Formula: C19H28O12
Molecular Weight: 448.419182
Exact Mass: 448.158076
NMR Solvent: D+C
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 95.1 |
| 3 (CH) | 144.2 |
| 4 (CH) | 108 |
| 5 (C) | 74.5 |
| 6 (CH) | 79.1 |
| 7 (CH2) | 47.6 |
| 8 (C) | 90.7 |
| 9 (CH) | 55.9 |
| 10 (CH3) | 23.5 |
| 1' (CH) | 98.1 |
| 2' (CH) | 77.9 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.6 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 62.8 |
| 6a (C) | 170.1 |
| 6b (CH3) | 24.8 |
| 8a (C) | 170.4 |
| 8b (CH3) | 25.2 |
