Spektraris NMR
Hatomarubigin B
Common Name: Hatomarubigin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O5/c1-9-7-10-3-4-11-16(15(10)13(22)8-9)20(24)17-12(21)5-6-14(25-2)18(17)19(11)23/h3-6,9,21H,7-8H2,1-2H3/t9-/m0/s1
InChIKey: InChIKey=IAWMODONDSIOEK-VIFPVBQESA-N
Formula: C20H16O5
Molecular Weight: 336.338795
Exact Mass: 336.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hayakawa, Y., Ha, S.C., Kim, Y.J., Furihata, K., Seto, H. J Antibiot (1991) 44, 1179-86
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) | 199.5 |
| 2 (CH2) | 47.6 |
| 3 (CH) | 29.7 |
| 4 (CH2) | 38.2 |
| 4a (C) | 149.1 |
| 5 (CH) | 133.7 |
| 6 (CH) | 129.4 |
| 6a (C) | 135.2 |
| 7 (C) | 180.9 |
| 7a (C) | 118.6 |
| 8 (C) | 154 |
| 9 (CH) | 122.9 |
| 10 (CH) | 126.4 |
| 11 (C) | 156.3 |
| 11a (C) | 116.7 |
| 12 (C) | 187.8 |
| 12a (C) | 132.8 |
| 12b (C) | 135.9 |
| 13 (CH3) | 21.5 |
| 8a (CH3) | 57 |
