Basic information
- CAS
18126-05-1- Standard SMILES
CC(=O)O[C@H](C)[C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@H]([C@@H](C)OC(C)=O)[C@@](C)(O)CC3=O)c1O)C2=O- InChIKey
JGYMCVKOAWXEOB-WNJJEIKJSA-N- Molecular formula
- C38H34O14
- Average molar mass
- 714.7 g/mol
- Monoisotopic mass
- 714.19485575
Names & identifiers
- Preferred name
- [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-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
- IUPAC
- [(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-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
- English name
- Julichrome Q1.1
- Molecular formula
- C38H34O14
- Molecular weight
- 714.67
Names & synonyms
Julimycin B-II[(1R)-1-[(1S,2S)-6-[(5S,6S)-5-[(1R)-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[(1r)-1-[(1s,2s)-6-[(5s,6s)-5-[(1r)-1-acetoxyethyl]-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] acetateNSC248605orb1696825AKOS040752204HY-127014T32319(1R)-1-{6-[5-((1R)-1-Acetyloxyethyl)(6S)-1,6-dihydroxy-6-methyl-8,9,10-trioxo(2-5,6,7-trihydroanthryl)](2S)-2,5-dihydroxy-2-methyl-4,9,10-trioxo(1,2,3-trihydroanthryl)}ethyl acetate[2,2'-Bianthracene]-8,8',9,9',10,10'(5H,5'H)-hexone, 5,5'-bis[(1R)-1-(acetyloxy)ethyl]-6,6',7,7'-tetrahydro-1,1',6,6'-tetrahydroxy-6,6'-dimethyl-, (5S,5'S,6S,6'S)- (9CI)JulimycinNSC-248605
Show more names
NSC 248605BRN 2688327Julimycin B2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,630
Physicochemical properties
- Boiling point
- 925.9 · 925.9±65.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.60(Predicted)
Chemistry & industry
Applications
DescriptionJulimycin B-II is a bioacive chemical.
UsesJulimycin B2 has anti-Gram-positive bacteria and anti-virus activity and it has effects on ehrman ascites carcinoma in mice[1].
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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