Spektraris NMR
Hatomarubigin D
Common Name: Hatomarubigin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H36O10/c1-16-9-18-5-7-22-30(28(18)24(42)11-16)40(48)34-32(38(22)46)26(50-3)14-20(36(34)44)13-21-15-27(51-4)33-35(37(21)45)41(49)31-23(39(33)47)8-6-19-10-17(2)12-25(43)29(19)31/h5-8,14-17,24-25,42-45H,9-13H2,1-4H3/t16-,17+,24-,25-/m0/s1
InChIKey: InChIKey=AASPEXAITKEFPE-MZXZQTHYSA-N
Formula: C41H36O10
Molecular Weight: 688.720088
Exact Mass: 688.230847
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 (CH) | 66.8 |
| 2 (CH2) | 40 |
| 3 (CH) | 27.5 |
| 4 (CH2) | 40.3 |
| 4a (C) | 145.3 |
| 5 (CH) | 136.3 |
| 6 (CH) | 126.8 |
| 6a (C) | 136.1 |
| 7 (C) | 181.4 |
| 7a (C) | 117.3 |
| 8 (C) | 153.4 |
| 9 (CH) | 125 |
| 10 (C) | 136.9 |
| 11 (C) | 156 |
| 11a (C) | 116.8 |
| 12 (C) | 193.1 |
| 12a (C) | 130.9 |
| 12b (C) | 142.5 |
| 13 (CH3) | 21.5 |
| 1' (CH) | 66.8 |
| 2' (CH2) | 40 |
| 3' (CH) | 27.5 |
| 4' (CH2) | 40.3 |
| 4'a (C) | 145.3 |
| 5' (CH) | 136.3 |
| 6' (CH) | 126.8 |
| 6'a (C) | 136.1 |
| 7' (C) | 181.4 |
| 7'a (C) | 117.3 |
| 8' (C) | 153.4 |
| 9' (CH) | 125 |
| 10' (C) | 136.9 |
| 11' (C) | 156 |
| 11'a (C) | 116.8 |
| 12' (C) | 193.1 |
| 12'a (C) | 130.9 |
| 12'b (C) | 142.5 |
| 13' (CH3) | 21.5 |
| 1'' (CH2) | 31.3 |
| 8a (CH3) | 57 |
| 8'a (CH3) | 57 |
