Spektraris NMR
(1R,4R 5S,6R,7S,8R,9S,11S,2'S,2''E)-11,12-Epoxy-8-(2'-methylbutanoyloxy)-9-(3''-methyl-2''-pentenoyloxy)-10(14)-oplopen-3-one
Common Name: (1R,4R 5S,6R,7S,8R,9S,11S,2'S,2''E)-11,12-Epoxy-8-(2'-methylbutanoyloxy)-9-(3''-methyl-2''-pentenoyloxy)-10(14)-oplopen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O8/c1-9-14(3)11-21(31)35-25-16(5)19-12-20(30)22(17(6)34-18(7)29)23(19)24(28(8)13-33-28)26(25)36-27(32)15(4)10-2/h11,15,17,19,22-26H,5,9-10,12-13H2,1-4,6-8H3/b14-11+/t15-,17+,19-,22-,23-,24-,25-,26+,28-/m0/s1
InChIKey: InChIKey=RKAGQEAKHTWMEU-YSHWSKASSA-N
Formula: C28H40O8
Molecular Weight: 504.613475
Exact Mass: 504.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, J.I., Arciniegas, A., Castorena, A.L.P., Villasenor, J.L., de Vivar, A.R. Heterocycles (2008) 75, 3035-42
Species:
Notes: Type : Oplopanes; 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) | 40.9 |
| 2 (CH2) | 41.8 |
| 3 (C) | 212.6 |
| 4 (CH) | 68.6 |
| 5 (CH) | 56.4 |
| 6 (CH) | 45.8 |
| 7 (CH) | 48.8 |
| 8 (CH) | 72.8 |
| 9 (CH) | 72.2 |
| 10 (C) | 142.3 |
| 11 (C) | 54.9 |
| 12 (CH3) | 15.9 |
| 13 (CH2) | 52.8 |
| 14 (CH2) | 113 |
| 15 (CH3) | 15.1 |
| 4a (C) | 170.7 |
| 4b (CH3) | 21.3 |
| 8a (C) | 176.1 |
| 8b (CH) | 41.1 |
| 8c (CH2) | 26.3 |
| 8d (CH3) | 11.6 |
| 8ba (CH3) | 16.2 |
| 9a (C) | 165.3 |
| 9b (CH) | 113.9 |
| 9c (C) | 163.1 |
| 9d (CH2) | 33.8 |
| 9e (CH3) | 11.8 |
| 9ca (CH3) | 18.9 |
