(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol
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![(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9dc906f25173482d82075983e8c79f86.png "(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol")
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol
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CAS No:
104380-52-1
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Formula:
C42H32O9
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Chemical Name:
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol
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Synonyms:
Dibenz[a,e]azulene-2,4,9,11-tetrol,6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-,(5S,7aS,12R,12aS)-;Dibenz[a,e]azulene-2,4,9,11-tetrol,6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-,[5S-(5α,7aα,12α,12aβ)]-;(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol;Copalliferol B;(-)-Copalliferol B
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CAS No:
(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol Basic Attributes
680.7 g/mol
680.70
DTXSID10331913
Computed Properties
Molecular Weight:680.7
XLogP3:6.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:680.20463259
Monoisotopic Mass:680.20463259
Topological Polar Surface Area:182
Heavy Atom Count:51
Complexity:1210
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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