(-)-Phaseollin

CAS Registry Number®

13401-40-6
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CAS Name

(-)-Phaseollin

Molecular Formula

C20H18O4

Molecular Mass

322.35

Cite this Page

(-)-Phaseollin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13401-40-6 (retrieved 2024-04-19) (CAS RN: 13401-40-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1

InChIKey

InChIKey=LWTDZKXXJRRKDG-KXBFYZLASA-N

SMILES

CC1(C)OC=2C(=C3C([C@]4([C@@](O3)(C=5C(OC4)=CC(O)=CC5)[H])[H])=CC2)C=C1

Canonical SMILES

OC1=CC=C2C(OCC3C4=CC=C5OC(C=CC5=C4OC23)(C)C)=C1

Other Names for this Substance

  • 3H,7H-Furo[3,2-c:5,4-f′]bis[1]benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, (6bR,12bR)-
  • 3H,7H-Furo[3,2-c:5,4-f′]bis[1]benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, (6bR-cis)-
  • 3H,7H-Furo[3,2-c:5,4-f′]bis[1]benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-
  • (6bR,12bR)-6b,12b-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f′]bis[1]benzopyran-10-ol
  • Phaseolin (phytoalexin)

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Deleted or Replaced CAS Registry Numbers

22090-93-3, 23513-44-2, 2222125-24-6

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