Spektraris NMR
Hatomarubigin A
Common Name: Hatomarubigin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O5/c1-9-6-10-8-13(22)17-18(15(10)12(21)7-9)19(23)11-4-3-5-14(25-2)16(11)20(17)24/h3-5,8-9,22H,6-7H2,1-2H3/t9-/m0/s1
InChIKey: InChIKey=INDHOTAYTXVPSZ-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) | 197.7 |
| 2 (CH2) | 47.5 |
| 3 (CH) | 30.2 |
| 4 (CH2) | 38.6 |
| 4a (C) | 152.2 |
| 5 (CH) | 120.9 |
| 6 (C) | 163.6 |
| 6a (C) | 117.7 |
| 7 (C) | 188.4 |
| 7a (C) | 119.8 |
| 8 (C) | 160.3 |
| 9 (CH) | 117.4 |
| 10 (CH) | 136.3 |
| 11 (CH) | 119.9 |
| 11a (C) | 137.4 |
| 12 (C) | 184.5 |
| 12a (C) | 137.8 |
| 12b (C) | 128.1 |
| 13 (CH3) | 21.3 |
| 8a (CH3) | 56.6 |
