Glyceollin III

CAS Registry Number®

61080-23-7
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CAS Name

Glyceollin III

Molecular Formula

C20H18O5

Molecular Mass

338.35

Cite this Page

Glyceollin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61080-23-7 (retrieved 2024-04-20) (CAS RN: 61080-23-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1

InChIKey

InChIKey=MIYTVBARXCVVHZ-RYGJVYDSSA-N

SMILES

O[C@]12[C@](C=3C(OC1)=CC4=C(C3)C[C@@H](C(C)=C)O4)(OC=5C2=CC=C(O)C5)[H]

Canonical SMILES

OC1=CC=C2C(OC3C=4C=C5C(OC(C(=C)C)C5)=CC4OCC23O)=C1

Other Names for this Substance

  • 6H-Benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol, 1,2-dihydro-2-(1-methylethenyl)-, (2S,6aS,11aS)-
  • 6H-Benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol, 1,2-dihydro-2-(1-methylethenyl)-, [2S-(2α,6aβ,11aβ)]-
  • (2S,6aS,11aS)-1,2-Dihydro-2-(1-methylethenyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6a,9(11aH)-diol
  • Glyceollin III

Deleted or Replaced CAS Registry Numbers

67314-02-7

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