2-Chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde

CAS Registry Number®

68455-10-7

CAS Name

2-Chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde

Molecular Formula

C22H19ClO8

Molecular Mass

446.83

Cite this Page

2-Chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68455-10-7 (retrieved 2024-11-22) (CAS RN: 68455-10-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3

InChIKey

InChIKey=JTGLZOMMRQOKBM-UHFFFAOYSA-N

SMILES

CC1=C2C(=C(O)C(OC)=C1C(C=C(C)C)=O)OC(=O)C=3C(O2)=C(C=O)C(O)=C(Cl)C3C

Canonical SMILES

O=CC1=C(O)C(Cl)=C(C=2C(=O)OC=3C(O)=C(OC)C(C(=O)C=C(C)C)=C(C3OC12)C)C

Other Names for this Substance

  • 11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-
  • 11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2-chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-butenyl)-11-oxo-
  • 2-Chloro-3,9-dihydroxy-8-methoxy-1,6-dimethyl-7-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
  • Mollicellin E

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