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Substance Name: Quassin
RN: 76-78-8
UNII: QP1YAK6QGK
InChIKey: IOSXSVZRTUWBHC-LBTVDEKVSA-N

Molecular Formula

  • C22-H28-O6

Molecular Weight

  • 388.457
 
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Names and Synonyms

Results Name

  • Quassin

Name of Substance

  • 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione
  • Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-
  • Quassin

Synonyms

  • EINECS 200-985-9
  • NSC 36342
  • UNII-QP1YAK6QGK

Systematic Names

  • (3AS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo(de,g)chromene-1,5,11-trione
  • Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-

Registry Numbers

CAS Registry Number

  • 76-78-8

FDA UNII

  • QP1YAK6QGK

Other Registry Number

  • 1405-17-0

System Generated Number

  • 0000076788

Structure Descriptors

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

IOSXSVZRTUWBHC-LBTVDEKVSA-N

Smiles

O1[C@H]2[C@@]3([C@H](C(=C(C([C@@H]3[C@@]3(C(C(OC)=C[C@H]([C@H]3C2)C)=O)C)=O)OC)C)CC1=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 222 deg C   EXP
log P (octanol-water) 0.940 (none)   EST
Atmospheric OH Rate Constant 2.63E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.