Spektraris NMR
Mammeisin diacetate
Common Name: Mammeisin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H30O7/c1-16(2)12-13-21-27-25(22(15-24(33)36-27)20-10-8-7-9-11-20)29(35-19(6)31)26(23(32)14-17(3)4)28(21)34-18(5)30/h7-12,15,17H,13-14H2,1-6H3
InChIKey: InChIKey=OVAGITAYMDGGBZ-UHFFFAOYSA-N
Formula: C29H30O7
Molecular Weight: 490.545398
Exact Mass: 490.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopez-Perez, J.L., Olmedo, D.A., Del Olmo, E., Vasquez, Y., Solis, P.N., Gupta, M.P., San Feliciano, A. J Nat Prod (2005) 68, 369-73
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 |
|---|---|
| 2 (C) | 158.7 |
| 3 (CH) | 118.4 |
| 4 (C) | 142.4 |
| 5 (C) | 153.1 |
| 6 (C) | 122.6 |
| 7 (C) | 158.7 |
| 8 (C) | 126.5 |
| 9 (C) | 147.8 |
| 10 (C) | 111.5 |
| 1' (C) | 137.3 |
| 2' (CH) | 128.4 |
| 3' (CH) | 128.1 |
| 4' (CH) | 128.9 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.4 |
| 5a (C) | 168.5 |
| 5b (CH3) | 19.1 |
| 6a (C) | 199.8 |
| 6b (CH2) | 52.8 |
| 6c (CH) | 23.8 |
| 6d (CH3) | 22.6 |
| 6e (CH3) | 22.6 |
| 7a (C) | 168.5 |
| 7b (CH3) | 26.6 |
| 8a (CH2) | 23.6 |
| 8b (CH) | 119.5 |
| 8c (C) | 133.9 |
| 8d (CH3) | 25.7 |
| 8e (CH3) | 18 |
