Spektraris NMR
Moromycin B
Common Name: Moromycin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H30O10/c1-12-18(32)8-22-30(39-12)41-29-13(2)38-20(9-21(29)40-22)15-6-7-17-25(26(15)34)28(36)16-5-4-14-10-31(3,37)11-19(33)23(14)24(16)27(17)35/h4-7,11-13,20-22,29-30,33-34,37H,8-10H2,1-3H3/t12-,13-,20-,21-,22+,29-,30+,31-/m1/s1
InChIKey: InChIKey=YWZUWCYMFIVBBT-CZUKXDQRSA-N
Formula: C31H30O10
Molecular Weight: 562.565085
Exact Mass: 562.183897
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Abdelfattah, M.S., Kharel, M.K., Hitron, J.A., Baig, I., Rohr, J. J Nat Prod (2008) 71, 1569-73
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) | 196 |
| 2 (CH) | 53.5 |
| 3 (C) | 72 |
| 4 (CH2) | 44.1 |
| 4a (C) | 149.4 |
| 5 (CH) | 134.2 |
| 6 (CH) | 128.7 |
| 6a (C) | 133.6 |
| 7 (C) | 188.3 |
| 7a (C) | 115.3 |
| 8 (C) | 157.8 |
| 9 (C) | 136.3 |
| 10 (CH) | 136.4 |
| 11 (CH) | 118.7 |
| 11a (C) | 135.6 |
| 12 (C) | 182.6 |
| 12a (C) | 133.7 |
| 12b (C) | 133.8 |
| 13 (CH3) | 28.8 |
| 1' (CH) | 71.4 |
| 2' (CH2) | 36.9 |
| 3' (CH) | 76.7 |
| 4' (CH) | 74 |
| 5' (CH) | 74.5 |
| 6' (CH3) | 17.3 |
| 1'' (CH) | 91.5 |
| 2'' (CH) | 71.6 |
| 3'' (CH2) | 40 |
| 4'' (C) | 207.6 |
| 5'' (CH) | 77.6 |
| 6'' (CH3) | 16 |
