Spektraris NMR
Moromycin A
Common Name: Moromycin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H46O14/c1-18-26(44)10-12-33(51-18)55-29-11-13-34(52-20(29)3)57-43(5)16-22-6-7-24-36(35(22)28(46)17-43)39(48)25-9-8-23(38(47)37(25)40(24)49)30-15-31-41(21(4)50-30)56-42-32(54-31)14-27(45)19(2)53-42/h6-10,12,18-21,29-34,41-42,47H,11,13-17H2,1-5H3/t18-,19-,20-,21+,29-,30+,31+,32-,33-,34-,41+,42-,43+/m0/s1
InChIKey: InChIKey=YXQYFVURWVZIMD-CZMJNFCQSA-N
Formula: C43H46O14
Molecular Weight: 786.818587
Exact Mass: 786.288756
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) | 195.5 |
| 2 (CH2) | 51.6 |
| 3 (C) | 76.2 |
| 4 (CH2) | 41.3 |
| 4a (C) | 148.4 |
| 5 (CH) | 134.4 |
| 6 (CH) | 128.8 |
| 6a (C) | 133.4 |
| 7 (C) | 188.2 |
| 7a (C) | 115.1 |
| 8 (C) | 157.9 |
| 9 (C) | 136.3 |
| 10 (CH) | 136.4 |
| 11 (CH) | 118.5 |
| 11a (C) | 135.8 |
| 12 (C) | 182.4 |
| 12a (C) | 133.6 |
| 12b (C) | 133.7 |
| 13 (CH3) | 25.2 |
| 1' (CH) | 71.3 |
| 2' (CH2) | 36.6 |
| 3' (CH) | 76.5 |
| 4' (CH) | 74.1 |
| 5' (CH) | 74.2 |
| 6' (CH3) | 16.9 |
| 1'' (CH) | 91.3 |
| 2'' (CH) | 71.1 |
| 3'' (CH2) | 39.7 |
| 4'' (C) | 207.7 |
| 5'' (CH) | 77.3 |
| 6'' (CH3) | 16.6 |
| 1''' (CH) | 91.4 |
| 2''' (CH2) | 25.1 |
| 3''' (CH2) | 24 |
| 4''' (CH) | 76.4 |
| 5''' (CH) | 66.2 |
| 6''' (CH3) | 15.6 |
| 1'''' (CH) | 95 |
| 2'''' (CH) | 144.2 |
| 3'''' (CH) | 126.2 |
| 4'''' (C) | 196.4 |
| 5'''' (CH) | 70 |
| 6'''' (CH3) | 14.5 |
