Spektraris NMR
(11S)-12-Acetoxy-4a,6b,11- trihydroxyeudesman-1-one
Common Name: (11S)-12-Acetoxy-4a,6b,11- trihydroxyeudesman-1-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O6/c1-10(18)23-9-17(4,22)11-5-7-15(2)12(19)6-8-16(3,21)14(15)13(11)20/h11,13-14,20-22H,5-9H2,1-4H3/t11-,13-,14-,15+,16-,17-/m1/s1
InChIKey: InChIKey=IDUPHPDXRYYHDG-PPOGYMEUSA-N
Formula: C17H28O6
Molecular Weight: 328.401281
Exact Mass: 328.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Gutierrez, M.C., Parra, A., Rivas, F. J Nat Prod (2002) 65, 1011-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (C) | 215.5 |
| 2 (CH2) | 35.5 |
| 3 (CH2) | 41.4 |
| 4 (C) | 71.7 |
| 5 (CH) | 55.5 |
| 6 (CH) | 68 |
| 7 (CH) | 47.4 |
| 8 (CH2) | 16.7 |
| 9 (CH2) | 35.7 |
| 10 (C) | 46.8 |
| 11 (C) | 74.8 |
| 12 (CH2) | 70 |
| 13 (CH3) | 23.8 |
| 14 (CH3) | 21 |
| 15 (CH3) | 26.2 |
| 12a (C) | 171.3 |
| 12b (CH3) | 21 |
