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Daunorubicinol Hydrochloride (Mixture of Diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS28008539
CAS28008-53-9
Structure
Synonyms((8S,10S)-10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride)
IUPAC Name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular Weight566.00
Molecular FormulaC27H31NO10.ClH
Canonical SMILESCl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)O
InChIInChI=1S/C27H31NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3;1H
Accurate Mass565.1715
FormatNeat
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