Spektraris NMR
3-Acetyloxy-9-hydroxy-14-(erythro-2-methyl-3-hydroxybutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Common Name: 3-Acetyloxy-9-hydroxy-14-(erythro-2-methyl-3-hydroxybutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O9/c1-8(9(2)23)18(26)31-19-11-5-14(25)17-21(4)12-6-22(11,17)13(7-28-19)16(30-20(21)27)15(12)29-10(3)24/h7-9,11-12,14-17,19,23,25H,5-6H2,1-4H3/t8-,9+,11-,12-,14+,15-,16+,17-,19-,21+,22-/m0/s1
InChIKey: InChIKey=AHSPVZOCNXATQL-PKDUTGHJSA-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) | 53.9 |
| 7 (CH) | 40.6 |
| 8 (CH2) | 40.9 |
| 9 (CH) | 73 |
| 10 (CH) | 61.9 |
| 11 (C) | 49.8 |
| 12 (C) | 177.1 |
| 13 (CH3) | 20 |
| 14 (CH) | 95.5 |
| 15 (CH) | 140 |
| 3a (C) | 170.1 |
| 3b (CH3) | 20.9 |
| 14a (C) | 173.9 |
| 14b (CH) | 45.8 |
| 14c (CH) | 68.1 |
| 14ba (CH3) | 10.8 |
| 14ca (CH3) | 20.1 |
