Spektraris NMR
Panglimycin D
Common Name: Panglimycin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O7/c1-6-5-9(21)11-12(14(6)22)16-18(26-16)19(25)13(11)15(23)7-3-2-4-8(20)10(7)17(19)24/h2-4,6,13-14,16-18,20,22,24-25H,5H2,1H3/t6-,13-,14+,16?,17+,18?,19+/m1/s1
InChIKey: InChIKey=BTQRYNYWJXULFC-UOAXAPRPSA-N
Formula: C19H18O7
Molecular Weight: 358.34275
Exact Mass: 358.105253
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) | 198.9 |
| 2 (CH2) | 44.8 |
| 3 (CH) | 40.7 |
| 4 (CH) | 74.7 |
| 4a (C) | 153.7 |
| 5 (CH) | 48.4 |
| 6 (CH) | 57.1 |
| 6a (C) | 75.8 |
| 7 (CH) | 75.6 |
| 7a (C) | 125 |
| 8 (C) | 158.7 |
| 9 (CH) | 123.2 |
| 10 (CH) | 130.2 |
| 11 (CH) | 119.6 |
| 11a (C) | 133.1 |
| 12 (C) | 195.5 |
| 12a (CH) | 50.7 |
| 12b (C) | 132.7 |
| 13 (CH3) | 18.5 |
