Spektraris NMR
(6S,7R,8S)-8,15-Diacetoxy-14-hydroxymelampa-1(10),411(13)-trien-12,6-olide
Common Name: (6S,7R,8S)-8,15-Diacetoxy-14-hydroxymelampa-1(10),411(13)-trien-12,6-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O7/c1-11-18-16(25-13(3)22)7-14(9-20)5-4-6-15(10-24-12(2)21)8-17(18)26-19(11)23/h5,8,16-18,20H,1,4,6-7,9-10H2,2-3H3/b14-5+,15-8-/t16-,17+,18+/m0/s1
InChIKey: InChIKey=XFZPJBLGAHKFAT-KJYAUEFBSA-N
Formula: C19H24O7
Molecular Weight: 364.390395
Exact Mass: 364.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Oltra, J.E., Rodriguez-Garcia, I., Barragan, A., Alvarez, M. J Nat Prod (2000) 63, 305-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 127.6 |
| 2 (CH2) | 26 |
| 3 (CH2) | 34 |
| 4 (C) | 138.2 |
| 5 (CH) | 128 |
| 6 (CH) | 75.4 |
| 7 (CH) | 48.1 |
| 8 (CH) | 72.5 |
| 9 (CH2) | 30.2 |
| 10 (C) | 139.1 |
| 11 (C) | 136.6 |
| 12 (C) | 170.7 |
| 13 (CH2) | 122.8 |
| 14 (CH2) | 67.9 |
| 15 (CH2) | 62.1 |
| 8a (C) | 169.9 |
| 8b (CH3) | 21.3 |
| 15a (C) | 169.5 |
| 15b (CH3) | 20.9 |
