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methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-({2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxotetrahydro-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Catalog ID
STK177207
SMILES COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C42H53NO15 MW 811.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,
InChIKey
USZYSDMBJDPRIF-UHFFFAOYSA-N
Synonyms

ACENE1CARBOXYLATE
ACLACINOMYCINA1
ACLARUBICIN
CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
InChI=1SC42H53NO15c1842(51)1728(3322(35(42)41(50)527)142334(38(33)49)37(48)3221(36(23)47)1091126(32)45)56301524(43(5)6)39(19(3)5430)58311627(46)40(20(4)5531)5729131225(44)18(2)5329h91114182024273135394045464951H812131517H217H3
methyl2ethyl257trihydroxy611dioxo4((236trideoxy4O(26dideoxy4O(6methyl5oxotetrahydro2Hpyran2yl)hexopyranosyl)3(dimethylamino)hexopyranosyl)oxy)1234611hexahydrotetr
METHYL4(4(DIMETHYLAMINO)5(4HYDROXY6METHYL5(6METHYL5OXOOXAN2YL)OXYOXAN2YL)OXY6METHYLOXAN2YL)OXY2ETHYL257TRIHYDROXY611DIOXO34DIHYDRO1HTETRACENE1CARBOXYLATE
METHYL4(4(DIMETHYLAMINO)5(4HYDROXY6METHYL5(6METHYL5OXOTETRAHYDROPYRAN2YL)OXYTETRAHYDROPYRAN2YL)OXY6METHYLTETRAHYDROPYRAN2YL)OXY2ETHYL257TRIHYDROXY611DIOXO34DIHYDRO1HTETRACENE1CARBOXYLATE
MFCD01004702
ZINC000008101053
ZINC000239229134

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Available files

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