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

CAS Registry Number®

1016605-31-4
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CAS Name

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

Molecular Formula

C21H19ClO6

Molecular Mass

402.83

Cite this Page

2-Chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-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=1016605-31-4 (retrieved 2024-05-14) (CAS RN: 1016605-31-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

InChIKey

InChIKey=NKSQSZYYPUIJDD-UHFFFAOYSA-N

SMILES

C(=O)C1=C2C(C(=O)OC=3C(O2)=CC(O)=C(CC=C(C)C)C3C)=C(C)C(Cl)=C1O

Canonical SMILES

O=CC1=C(O)C(Cl)=C(C=2C(=O)OC=3C(OC12)=CC(O)=C(C3C)CC=C(C)C)C

Other Names for this Substance

  • 11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-
  • 2-Chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde
  • Mollicellin J
  • CID 24787300

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