Spektraris NMR
2β,3β-Dihydroxy-11β,13-dihydrodeoymikanolide
Common Name: 2β,3β-Dihydroxy-11β,13-dihydrodeoymikanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O7/c1-5-9-7-3-6(14(19)20-7)10(16)11(17)12-15(2,22-12)4-8(9)21-13(5)18/h3,5,7-12,16-17H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12-,15+/m1/s1
InChIKey: InChIKey=LSDUEOPWYFLQEQ-SGTFNGHYSA-N
Formula: C15H18O7
Molecular Weight: 310.299807
Exact Mass: 310.105253
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) | 62.2 |
| 2 (CH) | 68.8 |
| 3 (CH) | 68.9 |
| 4 (C) | 135.1 |
| 5 (CH) | 148.9 |
| 6 (CH) | 81.3 |
| 7 (CH) | 54.7 |
| 8 (CH) | 78.1 |
| 9 (CH2) | 44 |
| 10 (C) | 58 |
| 11 (CH) | 40.5 |
| 12 (C) | 176.3 |
| 13 (CH3) | 13.5 |
| 14 (CH3) | 21.3 |
| 15 (C) | 171.4 |
