Spektraris NMR
3-Acetyloxy-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Common Name: 3-Acetyloxy-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O9/c1-9(23)29-15-11-6-22-10-5-13(24)17(22)21(11,4)19(26)31-16(15)12(22)8-28-18(10)30-14(25)7-20(2,3)27/h8,10-11,13,15-18,24,27H,5-7H2,1-4H3/t10-,11-,13+,15-,16+,17-,18-,21+,22-/m0/s1
InChIKey: InChIKey=HIDSKEIMSAUSKT-VRISSCDISA-N
Formula: C22H28O9
Molecular Weight: 436.453175
Exact Mass: 436.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kotowicz, C., Hernandez, L.R., Cerda-Garcia-Rojas, C.M., Villecco, M.B., Catalan, C.A., Joseph-Nathan, P. J Nat Prod (2001) 64, 1326-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (CH2) | 42 |
| 2 (CH) | 49.2 |
| 3 (CH) | 74.4 |
| 4 (CH) | 76.6 |
| 5 (C) | 117.8 |
| 6 (C) | 53.8 |
| 7 (CH) | 40.5 |
| 8 (CH2) | 41 |
| 9 (CH) | 73 |
| 10 (CH) | 61.9 |
| 11 (C) | 49.8 |
| 12 (C) | 177.1 |
| 13 (CH3) | 20 |
| 14 (CH) | 95.6 |
| 15 (CH) | 140 |
| 3a (C) | 170.1 |
| 3b (CH3) | 20.9 |
| 14a (C) | 171 |
| 14b (CH2) | 46.7 |
| 14c (C) | 69.2 |
| 14d (CH3) | 29.3 |
| 14ca (CH3) | 29.2 |
