(+)-Quassin

CAS Registry Number®

76-78-8
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CAS Name

(+)-Quassin

Molecular Formula

C22H28O6

Molecular Mass

388.45

Cite this Page

(+)-Quassin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76-78-8 (retrieved 2024-04-20) (CAS RN: 76-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1

InChIKey

InChIKey=IOSXSVZRTUWBHC-LBTVDEKVSA-N

SMILES

C[C@]12[C@]3([C@]4(C)[C@@](C[C@]1(OC(=O)C[C@]2(C(C)=C(OC)C3=O)[H])[H])([C@H](C)C=C(OC)C4=O)[H])[H]

Canonical SMILES

O=C1OC2CC3C(C=C(OC)C(=O)C3(C)C4C(=O)C(OC)=C(C)C(C1)C24C)C

Other Names for this Substance

  • Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-
  • Phenanthro[10,1-bc]pyran-1,5,11(4H)-trione, 3aβ,6aβ,7,7aα,8,11a,11bα,11c-octahydro-2,10-dimethoxy-3,8α,11aβ,11cβ-tetramethyl-
  • Quassin
  • Phenanthro[10,1-bc]pyran, picrasa-2,12-diene-1,11,16-trione deriv.
  • 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione

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Deleted or Replaced CAS Registry Numbers

1405-17-0

CAS INSIGHTSTM
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