Home > Product Catalog > All > (7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-aziridin-1-yl-6-methyl-5-methylsulfonyloxy-oxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-aziridin-1-yl-6-methyl-5-methylsulfonyloxy-oxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

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Catalog No. : NC24635

CAS No. : 171047-47-5

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Molecular Formula : C₂₉H₃₁NO₁₁S

Chemical Name : (7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-aziridin-1-yl-6-methyl-5-methylsulfonyloxy-oxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Weight : 601.62

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Basic information

Standard English name
Cas No.	171047-47-5
Alias	(7S,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-aziridin-1-yl-6-methyl-5-methylsulfonyloxy-oxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Canonical Smiles	CC(=O)C1(O)CC2C(C(C1)OC1CC(C(OS(C)(=O)=O)C(C)O1)N1CC1)=C(O)C1=C(C(=O)C3C=CC=CC=3C1=O)C=2O
MDL No.
Exact Mass	601.16179
Smiles	O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)C)CC4OC5OC(C)C(OS(=O)(=O)C)C(N6CC6)C5

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Inchi	InChI=1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3
InchiKey	VMDWTZZCNDEKIO-UHFFFAOYSA-N
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