Home > Product Catalog > All > 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-2-methyl-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]- (9CI)

1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-2-methyl-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]- (9CI)

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Catalog No. : NC33115

CAS No. : 76023-81-9

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Molecular Formula : C₂₁H₁₈O₉

Chemical Name : 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-2-methyl-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]- (9CI)

Molecular Weight : 414.36

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Basic information

Standard English name
Cas No.	76023-81-9
Alias	1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7,10-pentahydroxy-2-methyl-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]- (9CI)
Canonical Smiles	COC(=O)C1C2=CC3=C(C(=O)C4=C(C3=O)C(O)=CC=C4O)C(O)=C2C(O)CC1(C)O
MDL No.
Exact Mass	414.09509
Smiles	O=C1C=2C=C3C(=C(O)C2C(=O)C=4C(O)=CC=C(O)C14)C(O)CC(O)(C)C3C(=O)OC

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Inchi	InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3
InchiKey	ZBSRQGXAWDQXFX-UHFFFAOYSA-N
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