Elliptone structure

Elliptone

(1S,13S)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one

Also Known As: Elliptone|Derride|ELLIPTONE [MI]|KST-1A5772|KST-1A5773|J1.557.279E|(6aS,12aS)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-|(6aS,12aS)-8,9-dimethoxy-12,12a-dihydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one|(-)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS-cis)-|(1S,13S)-16,17-dimethoxy-2,7,20-trioxapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one|(1S,13S)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one|(1S,13S)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,5,8,10,14(19),15,17-heptaen-12-one|(6aS,12aS)-12,12a-Dihydro-8,9-dimeth-oxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one|(6AS,12AS)-12,12A-DIHYDRO-8,9-DIMETHOXY(1)BENZOPYRANO(3,4-B)FURO(2,3-H)(1)BENZOPYRAN-6(6AH)-ONE|(6aS,12aS)-8,9-Dimethoxy-12,12a-dihydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one|[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-|12,12aalpha-Dihydro-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one

CAS: 5441-66-7
Molecular Formula C20H16O6
Molecular Weight 352.0947 g/mol
LogP 3.2
Topological Polar Surface Area 67.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 352.0947
Monoisotopic Mass 352.0947
Heavy Atoms 26
Complexity 552.0

Chemical Identifiers

CAS Number 5441-66-7
SMILES COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
InChIKey KPSZGBRARBOMHQ-MSOLQXFVSA-N

Product Overview

Elliptone (CAS 5441-66-7), with molecular formula C20H16O6 and molecular weight 352.0947 g/mol. IUPAC: (1S,13S)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one.

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