Spektraris NMR
3'-Methoxyaglaroxin A 1-O-acetate
Common Name: 3'-Methoxyaglaroxin A 1-O-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H33NO10/c1-17(34)42-29-24(30(35)33(2)3)25(18-10-8-7-9-11-18)32(19-12-13-20(37-4)21(14-19)38-5)31(29,36)26-22(43-32)15-23-27(28(26)39-6)41-16-40-23/h7-15,24-25,29,36H,16H2,1-6H3/t24-,25-,29-,31+,32+/m1/s1
InChIKey: InChIKey=NDXZPZLQQNLZFC-CPZZKNJMSA-N
Formula: C32H33N1O10
Molecular Weight: 591.606386
Exact Mass: 591.210446
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, S., Chin, Y.W., Su, B.N., Riswan, S., Kardono, L.B., Afriastini, J.J., Chai, H., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2006) 69, 1769-75
Species:
Notes: Family : Flavonoids, Type : Flavaglines; 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) | 77.6 |
| 2 (CH) | 47.4 |
| 3 (CH) | 56.3 |
| 3a (C) | 101.3 |
| 4a (C) | 154.4 |
| 5 (CH) | 87.5 |
| 6 (C) | 152 |
| 7 (C) | 129.5 |
| 8 (C) | 140.4 |
| 8a (C) | 109.2 |
| 8b (C) | 93.3 |
| 1' (C) | 137.5 |
| 2' (CH) | 127.6 |
| 3' (CH) | 127.8 |
| 4' (CH) | 126.4 |
| 5' (CH) | 127.8 |
| 6' (CH) | 127.6 |
| 1'' (C) | 127.6 |
| 2'' (CH) | 111.8 |
| 3'' (C) | 147.9 |
| 4'' (C) | 148.1 |
| 5'' (CH) | 109.8 |
| 6'' (CH) | 120 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21 |
| 2a (C) | 167.5 |
| 2b (CH3) | 37.1 |
| 2c (CH3) | 35.7 |
| 6a (CH2) | 101 |
| 8c (CH3) | 59.5 |
| 3''a (CH3) | 55.8 |
| 4''a (CH3) | 55.7 |
