Sumatrol

CAS Registry Number®

82-10-0
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CAS Name

Sumatrol

Molecular Formula

C23H22O7

Molecular Mass

410.42

Cite this Page

Sumatrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82-10-0 (retrieved 2024-05-18) (CAS RN: 82-10-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1

InChIKey

InChIKey=ZPEHYKMRUBEPSQ-XMCHAPAWSA-N

SMILES

O=C1[C@]2(C=3C(=CC(OC)=C(OC)C3)OC[C@]2(OC=4C1=C(O)C=C5C4C[C@H](C(C)=C)O5)[H])[H]

Canonical SMILES

O=C1C2=C(O)C=C3OC(C(=C)C)CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14

Other Names for this Substance

  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-
  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy-, (-)-
  • Sumatrol
  • [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2α,6aα,12aα)]-
  • (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

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Deleted or Replaced CAS Registry Numbers

54423-20-0

CAS INSIGHTSTM
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