Glyceollin I

CAS Registry Number®

57103-57-8
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CAS Name

Glyceollin I

Molecular Formula

C20H18O5

Molecular Mass

338.35

Cite this Page

Glyceollin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57103-57-8 (retrieved 2024-04-27) (CAS RN: 57103-57-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1

InChIKey

InChIKey=YIFYYPKWOQSCRI-AZUAARDMSA-N

SMILES

O[C@]12[C@](C=3C(OC1)=C4C(=CC3)OC(C)(C)C=C4)(OC=5C2=CC=C(O)C5)[H]

Canonical SMILES

OC1=CC=C2C(OC3C4=CC=C5OC(C=CC5=C4OCC23O)(C)C)=C1

Other Names for this Substance

  • 2H,6H-Benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol, 2,2-dimethyl-, (6aS,11aS)-
  • 2H,6H-Benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol, 2,2-dimethyl-, (6aS-cis)-
  • (6aS,11aS)-2,2-Dimethyl-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol
  • Glyceollin I
  • (-)-Glyceollin I

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