Julimycin B2
1-[(2S)-6-[(6S)-5-(1-acetyloxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl acetate
| Molecular Formula | C38H34O14 |
|---|---|
| Molecular Weight | 714.7 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 236.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 714.1949 |
| Heavy Atoms | 52 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 18126-05-1 |
|---|---|
| SMILES | CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C |
| InChIKey | JGYMCVKOAWXEOB-TYCAKJOLSA-N |
📖 Product Overview
Julimycin B2 (CAS: 18126-05-1) is a chemical compound with molecular formula C38H34O14 and molecular weight 714.7 g/mol. Its IUPAC systematic name is 1-[(2S)-6-[(6S)-5-(1-acetyloxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl acetate.
JGYMCVKOAWXEOB-TYCAKJOLSA-N.
SMILES: CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C.
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