Spektraris NMR
(11S,16S) 11-hydroxy-13-(10-hydroxyethyl)-mokkolactone
Common Name: (11S,16S) 11-hydroxy-13-(10-hydroxyethyl)-mokkolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)21-16(19)17(13,20)8-11(3)18/h11-15,18,20H,1-2,4-8H2,3H3/t11-,12-,13+,14-,15-,17-/m0/s1
InChIKey: InChIKey=FVUGEQRKZODDTO-XSNIPSOOSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Vinolo, V.M.I., Fronczek, F.R., Massanet, G.M., Molinillo, J.M.G. Tetrahedron (2006) 62, 7747-55
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 47.5 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 149.5 |
| 5 (CH) | 52.1 |
| 6 (CH) | 84.7 |
| 7 (CH) | 51.4 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 35.8 |
| 10 (C) | 151.2 |
| 11 (C) | 76.4 |
| 12 (C) | 178.1 |
| 13 (CH2) | 43.1 |
| 14 (CH2) | 112.3 |
| 15 (CH2) | 109.8 |
| 13a (CH) | 64.7 |
| 13b (CH3) | 24.8 |
