Morellin
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Morellin
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CAS No:
1183-12-6
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Formula:
C33H36O7
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Chemical Name:
Morellin
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Synonyms:
2-Butenal,2-methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-,(2Z)-;1,5-Methano-11H-furo[3,2-g]pyrano[3,2-b]xanthene-3a(4H)-crotonaldehyde,1,2,5,7-tetrahydro-8-hydroxy-α,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-,trans-;2-Butenal,2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-,[1R-[1α,1(Z),3aβ,5α,14aS*]]-;1,5-Methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-1-crotonaldehyde,3a,4,5,7-tetrahydro-8-hydroxy-α,3,3,11,11-pentamethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-;2-Butenal,2-methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-,(2Z)-;1,5-Methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthene,2-butenal deriv.;(2Z)-2-Methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenal;Morellin;11019-80-0
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CAS No:
Description
ChEBI: An organic heterohexacyclic compound that is the major chromenoxanthone pigment present in Garcinia morella Desr.seed coat extract.
Characteristics
99.1
5.62710
1.234 g/cm3
154 °C
740.3ºC at 760mmHg
239.3ºC
1.631
1.16E-22mmHg at 25°C
Computed Properties
Molecular Weight:544.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:544.24610348
Monoisotopic Mass:544.24610348
Topological Polar Surface Area:99.1
Heavy Atom Count:40
Complexity:1280
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes