Spektraris NMR
3α-Hydroxy-11β,13-dihydrodeoxymikanolide
Common Name: 3α-Hydroxy-11β,13-dihydrodeoxymikanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8-,9-,10+,11-,12+,15+/m1/s1
InChIKey: InChIKey=ITFJPAQQKHMDBK-QEPGURRYSA-N
Formula: C15H18O6
Molecular Weight: 294.300402
Exact Mass: 294.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Huang, H., Ye, W., Wu, P., Lin, L., Wei, X. J Nat Prod (2004) 67, 734-6
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) | 60.4 |
| 2 (CH2) | 32.9 |
| 3 (CH) | 66.5 |
| 4 (C) | 134.9 |
| 5 (CH) | 148.7 |
| 6 (CH) | 80.3 |
| 7 (CH) | 54.4 |
| 8 (CH) | 78.4 |
| 9 (CH2) | 43.6 |
| 10 (C) | 57.5 |
| 11 (CH) | 40.6 |
| 12 (C) | 176.3 |
| 13 (CH3) | 13.5 |
| 14 (CH3) | 20.7 |
| 15 (C) | 171.2 |
