Aspidin

CAS Registry Number®

584-28-1

CAS Name

Aspidin

Molecular Formula

C25H32O8

Molecular Mass

460.52

Cite this Page

Aspidin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=584-28-1 (retrieved 2024-12-22) (CAS RN: 584-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124-125 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3

InChIKey

InChIKey=DCEHSZHMKGBNHS-UHFFFAOYSA-N

SMILES

C(C=1C(=O)C(C(CCC)=O)=C(O)C(C)(C)C1O)C2=C(O)C(C(CCC)=O)=C(OC)C(C)=C2O

Canonical SMILES

O=C1C(C(=O)CCC)=C(O)C(C(O)=C1CC2=C(O)C(C(=O)CCC)=C(OC)C(=C2O)C)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 2-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • Butyrophenone, 3′-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,4′-dihydroxy-6′-methoxy-5′-methyl-
  • 2-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
  • Aspidin
  • Aspidin BB

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CAS INSIGHTSTM
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