Spektraris NMR
AbacopterinD
Common Name: AbacopterinD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1
InChIKey: InChIKey=BNUJOMJNLGIKGM-HLDXYIHRSA-N
Formula: C30H38O15
Molecular Weight: 638.614899
Exact Mass: 638.221071
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhao, Z., Ruan, J., Jin, J., Zou, J., Zhou, D., Fang, W., Zeng, F. J Nat Prod (2006) 69, 265-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (CH) | 72.4 |
| 3 (CH2) | 36.5 |
| 4 (CH) | 56.7 |
| 5 (C) | 150.3 |
| 6 (C) | 119.8 |
| 7 (C) | 153.9 |
| 8 (C) | 114.8 |
| 9 (C) | 152.7 |
| 10 (C) | 115.5 |
| 1' (C) | 133.3 |
| 2' (CH) | 127.7 |
| 3' (CH) | 114.8 |
| 4' (C) | 159 |
| 5' (CH) | 114.8 |
| 6' (CH) | 127.7 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 73.9 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 76.7 |
| 6'' (CH2) | 61 |
| 1''' (CH) | 102.2 |
| 2''' (CH) | 85.8 |
| 3''' (CH) | 73.9 |
| 4''' (CH) | 69.6 |
| 5''' (CH) | 78 |
| 6''' (CH2) | 60.5 |
| 6a (CH2) | 64.1 |
| 8a (CH3) | 9.1 |
| 4'a (CH3) | 55.2 |
