1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1α,2β,4β)]-

CAS Registry Number®

79127-36-9

CAS Name

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1α,2β,4β)]-

Molecular Formula

C42H53NO16

Molecular Mass

827.87

Cite this Page

1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1α,2β,4β)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79127-36-9 (retrieved 2024-11-22) (CAS RN: 79127-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H53NO16/c1-8-42(52)16-28(33-21(35(42)41(51)53-7)13-23-34(38(33)50)37(49)32-22(36(23)48)11-20(44)12-26(32)46)57-30-14-24(43(5)6)39(18(3)55-30)59-31-15-27(47)40(19(4)56-31)58-29-10-9-25(45)17(2)54-29/h11-13,17-19,24,27-31,35,39-40,44,46-47,50,52H,8-10,14-16H2,1-7H3

InChIKey

InChIKey=OPLSIDPSRWNQIH-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1C2=C(C(OC3CC(N(C)C)C(OC4CC(O)C(OC5OC(C)C(=O)CC5)C(C)O4)C(C)O3)CC1(CC)O)C(O)=C6C(=C2)C(=O)C=7C(C6=O)=C(O)C=C(O)C7

Canonical SMILES

O=C1C=2C=C(O)C=C(O)C2C(=O)C=3C(O)=C4C(=CC13)C(C(=O)OC)C(O)(CC)CC4OC5OC(C)C(OC6OC(C)C(OC7OC(C(=O)CC7)C)C(O)C6)C(N(C)C)C5

Other Names for this Substance

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1α,2β,4β)]-
  • 2-Hydroxyaclacinomycin A

CAS INSIGHTSTM
Targeted protein degrader structure, illustration