(+)-3′,7-Dimethyl 9,9′,10,10′-tetrahydro-1,2′,5′,6-tetrahydroxy-4′,8-dimethyl-9′-(2-methyl-1-oxobutoxy)-9,10,10′-trioxo[2,9′-bianthracene]-3′,7-dicarboxylate

CAS Registry Number®

1160579-07-6

CAS Name

(+)-3′,7-Dimethyl 9,9′,10,10′-tetrahydro-1,2′,5′,6-tetrahydroxy-4′,8-dimethyl-9′-(2-methyl-1-oxobutoxy)-9,10,10′-trioxo[2,9′-bianthracene]-3′,7-dicarboxylate

Molecular Formula

C39H32O13

Molecular Mass

708.66

Cite this Page

(+)-3′,7-Dimethyl 9,9′,10,10′-tetrahydro-1,2′,5′,6-tetrahydroxy-4′,8-dimethyl-9′-(2-methyl-1-oxobutoxy)-9,10,10′-trioxo[2,9′-bianthracene]-3′,7-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1160579-07-6 (retrieved 2025-02-23) (CAS RN: 1160579-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H32O13/c1-7-15(2)36(47)52-39(20-9-8-10-23(40)31(20)35(46)27-17(4)29(38(49)51-6)25(42)14-22(27)39)21-12-11-18-30(33(21)44)34(45)26-16(3)28(37(48)50-5)24(41)13-19(26)32(18)43/h8-15,40-42,44H,7H2,1-6H3

InChIKey

InChIKey=LUBCWELSQUOSLN-UHFFFAOYSA-N

SMILES

O(C(C(CC)C)=O)C1(C=2C(C(=O)C=3C1=CC=CC3O)=C(C)C(C(OC)=O)=C(O)C2)C=4C(O)=C5C(=CC4)C(=O)C=6C(C5=O)=C(C)C(C(OC)=O)=C(O)C6

Canonical SMILES

O=C(OC)C1=C(O)C=C2C(=O)C3=CC=C(C(O)=C3C(=O)C2=C1C)C4(OC(=O)C(C)CC)C=5C=CC=C(O)C5C(=O)C=6C4=CC(O)=C(C(=O)OC)C6C

Other Names for this Substance

  • [2,9′-Bianthracene]-3′,7-dicarboxylic acid, 9,9′,10,10′-tetrahydro-1,2′,5′,6-tetrahydroxy-4′,8-dimethyl-9′-(2-methyl-1-oxobutoxy)-9,10,10′-trioxo-, 3′,7-dimethyl ester, (+)-
  • (+)-3′,7-Dimethyl 9,9′,10,10′-tetrahydro-1,2′,5′,6-tetrahydroxy-4′,8-dimethyl-9′-(2-methyl-1-oxobutoxy)-9,10,10′-trioxo[2,9′-bianthracene]-3′,7-dicarboxylate
  • Scutianthraquinone A

CAS INSIGHTSTM
Samples on a microarray, illustration