 Home > Encyclopedia > (3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione structure

CAS No:
150050-21-8
Formula:
C37H42O13
Chemical Name:
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Synonyms:
Sch 47555;Sch-47555;Sch 47555;Sch-47555;150050-21-8;DTXSID20933866;(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione;(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione;4a,8,12b-Trihydroxy-9-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-3-methyl-3-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione;Benz(a)anthracene-1,7,12(2H)-trione, 3-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-9-(tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-, (2S-(2alpha(2S*(3S*(2R*,6R*),4aS*,12bR*),5R*,6S*),5alpha,6beta))-;Benz[a]anthracene-1,7,12(2H)-trione, 3-[(5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-9-[tetrahydro-6-methyl-5-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-2H-pyran-2-yl]-, (3R,4aR,12bS)-

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(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione Basic Attributes

Molecular Weight：

694.7 g/mol

Exact Mass：

694.26254139 g/mol

Characteristics

PSA：

195 Å²

Drug Information

MeSH Entry Terms：

Sch 47555

Computed Properties

Molecular Weight:694.7
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:694.26254139
Monoisotopic Mass:694.26254139
Topological Polar Surface Area:195
Heavy Atom Count:50
Complexity:1530
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]-3-methyl-3-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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