Products 73113-90-3

CAS 73113-90-3 is the registry number for Hydroxyrubicin. Offered by: MedChemExpress. Available pack sizes: Get quote.

Hydroxyrubicin
MedChemExpress
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Structural formula: {0} (CAS {1})

(7S,9S)-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione (CAS 73113-90-3) is a chemical compound with the molecular formula C27H28O12 and a molecular weight of 544.5 g/mol. IUPAC name: (7S,9S)-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione. InChIKey: HEQRYQONNHFDHG-TZSSRYMLSA-N.

Identity
Molecular formulaC27H28O12
Molecular weight544.5 g/mol
IUPAC name(7S,9S)-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChIKeyHEQRYQONNHFDHG-TZSSRYMLSA-N
SMILESC[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Hydroxyrubicin, Hydroxydoxorubicin, 3'-Deamino-3'-hydroxydoxorubicin, HO-DOX, orb3174016, 3'-deamino-4'-epi-3'-hydroxydoxorubin
Isomers (same molecular formula)
methyl (3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(2-phenylmethoxycarbonylphenoxy)oxane-2-carboxylate C27H28O12
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formyl-2-phenylmethoxyphenoxy)oxane-2-carboxylate C27H28O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid C27H28O12
[3,4,5-trihydroxy-6-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate C27H28O12
trans-ethyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate C27H28O12
(2S,3S,4R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione C27H28O12
ethyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate C27H28O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid C27H28O12

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