5,7-Dihydroxy-8-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one

CAS Registry Number®

7058-70-0

CAS Name

5,7-Dihydroxy-8-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one

Molecular Formula

C25H26O5

Molecular Mass

406.47

Cite this Page

5,7-Dihydroxy-8-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7058-70-0 (retrieved 2025-01-07) (CAS RN: 7058-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106-107 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3

InChIKey

InChIKey=YALRCXHVQYBSJC-UHFFFAOYSA-N

SMILES

OC1=C2C(=C(CC=C(C)C)C(O)=C1C(C(CC)C)=O)OC(=O)C=C2C3=CC=CC=C3

Canonical SMILES

O=C1OC2=C(C(O)=C(C(O)=C2CC=C(C)C)C(=O)C(C)CC)C(=C1)C=3C=CC=CC3

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxobutyl)-4-phenyl-
  • Coumarin, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methylbutyryl)-4-phenyl-
  • 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-
  • 5,7-Dihydroxy-8-(3-methyl-2-buten-1-yl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one
  • Mammea A/AB

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Deleted or Replaced CAS Registry Numbers

111761-54-7

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