Cinerubin A hydrochloride
Molecular Formula:
C42H54ClNO16
InChI: InChI=1/C42H53NO16.ClH/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28;/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3;1H/t17u,18u,19u,22?,26?,27-,28?,29?,30?,35-,39?,40?,42+;/m0./s1/fC42H54NO16.Cl/h43H;1h/q+1;-1
InChIKey: InChIKey=ACPRCYNYDVWPJV-NNELWDBQDB
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)[NH+](C)C)O.[Cl-]
Names:
Cinerubin A hydrochloride
NSC243022
[6-[[(1S,3R,4R)-3-ethyl-3,7,10,12-tetrahydroxy-4-methoxycarbonyl-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan-2-yl)oxy-oxan-2-yl]oxy-2-methyl-oxan-4-yl]-dimethyl-azanium chloride
Registries:
PubChem CID 5458466
PubChem ID 8140688
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|