Spektraris NMR
Panglimycin B
Common Name: Panglimycin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O7/c1-7-5-11(21)13-9(16(7)23)6-12(22)19(26)15(13)17(24)8-3-2-4-10(20)14(8)18(19)25/h2-4,7,12,15-16,18,20,22-23,25-26H,5-6H2,1H3/t7-,12-,15-,16+,18+,19+/m1/s1
InChIKey: InChIKey=IRQGVRMONXBOEN-QZKKWVCRSA-N
Formula: C19H20O7
Molecular Weight: 360.358632
Exact Mass: 360.120903
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fotso, S., Mahmud, T., Zabriskie, T.M., Santosa, D.A., Sulastri, Proteau, P.J. J Nat Prod (2008) 71, 61-5
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Angucyclines; 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) | 200.5 |
| 2 (CH2) | 45.4 |
| 3 (CH) | 40.5 |
| 4 (CH) | 76.6 |
| 4a (C) | 159.4 |
| 5 (CH2) | 35.4 |
| 6 (CH) | 66.2 |
| 6a (C) | 77.7 |
| 7 (CH) | 76.8 |
| 7a (C) | 128.1 |
| 8 (C) | 157.6 |
| 9 (CH) | 121.8 |
| 10 (CH) | 129.5 |
| 11 (CH) | 118.1 |
| 11a (C) | 135.3 |
| 12 (C) | 196.3 |
| 12a (CH) | 51 |
| 12b (C) | 129.4 |
| 13 (CH3) | 19.1 |
