Spektraris NMR
3-(3-Hydroxy-3-methylbutanoyloxy)-9-(2-methylbutanoyloxy)-14-(threo-2-methyl-3-hydroxybutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Common Name: 3-(3-Hydroxy-3-methylbutanoyloxy)-9-(2-methylbutanoyloxy)-14-(threo-2-methyl-3-hydroxybutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-8-13(2)24(33)38-19-9-16-26(41-25(34)14(3)15(4)31)37-12-18-22-21(39-20(32)11-28(5,6)36)17-10-30(16,18)23(19)29(17,7)27(35)40-22/h12-17,19,21-23,26,31,36H,8-11H2,1-7H3/t13?,14-,15-,16-,17-,19+,21-,22+,23-,26-,29+,30-/m0/s1
InChIKey: InChIKey=MMIRPMYKPMCCEM-ZLODNWDCSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
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) | 41.4 |
| 2 (CH) | 49.2 |
| 3 (CH) | 74.3 |
| 4 (CH) | 76.4 |
| 5 (C) | 117 |
| 6 (C) | 54.2 |
| 7 (CH) | 40.3 |
| 8 (CH2) | 38.1 |
| 9 (CH) | 74.5 |
| 10 (CH) | 60.4 |
| 11 (C) | 49.7 |
| 12 (C) | 176.2 |
| 13 (CH3) | 19.9 |
| 14 (CH) | 95.3 |
| 15 (CH) | 140.8 |
| 3a (C) | 171.1 |
| 3b (CH2) | 46.8 |
| 3c (C) | 69.2 |
| 3d (CH3) | 29.3 |
| 3e (CH3) | 29.2 |
| 9a (C) | 175.2 |
| 9b (CH) | 41.2 |
| 9c (CH2) | 26.7 |
| 9d (CH3) | 16 |
| 9ba (CH3) | 11.5 |
| 14a (C) | 174 |
| 14b (CH) | 47.2 |
| 14c (CH) | 69.4 |
| 14d (CH3) | 20.7 |
| 14ba (CH3) | 13.7 |
