Isochandalone

CAS Registry Number®

121747-90-8

CAS Name

Isochandalone

Molecular Formula

C25H24O5

Molecular Mass

404.46

Cite this Page

Isochandalone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121747-90-8 (retrieved 2024-12-04) (CAS RN: 121747-90-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H24O5/c1-14(2)5-7-17-19(26)12-21-22(23(17)27)24(28)18(13-29-21)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-13,26-27H,7H2,1-4H3

InChIKey

InChIKey=CUDNUXBRPAPDBJ-UHFFFAOYSA-N

SMILES

O=C1C=2C(=CC(O)=C(CC=C(C)C)C2O)OC=C1C=3C=C4C(=CC3)OC(C)(C)C=C4

Canonical SMILES

O=C1C(=COC2=CC(O)=C(C(O)=C12)CC=C(C)C)C=3C=CC=4OC(C=CC4C3)(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
  • 4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-
  • 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • Isochandalone

CAS INSIGHTSTM
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