Spektraris NMR
1α,8α-oxido-3β-acetoxy-2α-acylperoxy-1α,14α-dihydroxy-[3.3.110,2]-bicyclomeliac-7,19-olide
![1α,8α-oxido-3β-acetoxy-2α-acylperoxy-1α,14α-dihydroxy-[3.3.110,2]-bicyclomeliac-7,19-olide](/nmr/static/nmr/svg/18255.svg)
Common Name: 1α,8α-oxido-3β-acetoxy-2α-acylperoxy-1α,14α-dihydroxy-[3.3.110,2]-bicyclomeliac-7,19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O13/c1-15(31)39-23-24(3,4)19-10-20(33)38-14-26(19)18-6-8-25(5)22(17-7-9-37-12-17)40-21(34)11-29(25,35)27(18)13-28(23,30(26,36)42-27)43-41-16(2)32/h7,9,12,18-19,22-23,35-36H,6,8,10-11,13-14H2,1-5H3/t18-,19+,22+,23+,25+,26-,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=RDTHSEPEAGEPPU-RUHWGVOHSA-N
Formula: C30H36O13
Molecular Weight: 604.600208
Exact Mass: 604.215591
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ferreira, I.C., Cortez, D.A., das, G.F.d.S.M.F., Fo, E.R., Vieira, P.C., Fernandes, J.B. J Nat Prod (2005) 68, 413-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 107.6 |
| 2 (C) | 93.6 |
| 3 (CH) | 75.6 |
| 4 (C) | 38.8 |
| 5 (CH) | 37.7 |
| 6 (CH2) | 29.8 |
| 7 (C) | 173.2 |
| 8 (C) | 81.2 |
| 9 (CH) | 52.5 |
| 10 (C) | 47.5 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 30.4 |
| 13 (C) | 40.3 |
| 14 (C) | 71.9 |
| 15 (CH2) | 37.4 |
| 16 (C) | 169 |
| 17 (CH) | 77.2 |
| 18 (CH3) | 15.3 |
| 19 (CH2) | 73.3 |
| 20 (C) | 120.4 |
| 21 (CH) | 140.8 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 24.6 |
| 29 (CH3) | 22.5 |
| 30 (CH2) | 39.9 |
| 2b (C) | 175.2 |
| 2c (CH3) | 20.6 |
| 3a (C) | 170 |
| 3b (CH3) | 20.9 |
