(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
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![(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4e05624601544031a7843fbefa17ff4e.png "(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol")
(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
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CAS No:
52591-03-4
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Formula:
C20H36O4
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Chemical Name:
(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
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Synonyms:
7,14,15,-trihydroxy-13-epoxy-labdane;7,14,15,-trihydroxy-13-epoxylabdane;borjatriol;Borjatriol;52591-03-4;7,14,15,-Trihydroxy-13-epoxylabdane;SCHEMBL2996190;CHEMBL3391874;DTXSID60967024;7,14,15,-trihydroxy-13-epoxy-labdane;1,2-Ethanediol, 1-(dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-3-yl)-, (3R-(3alpha(R*),4abeta,5beta,6aalpha,10abeta,10balpha))-;1-(5-Hydroxy-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-3-yl)ethane-1,2-diol
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CAS No:
(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol Basic Attributes
340.5 g/mol
340.26135963 g/mol
Computed Properties
Molecular Weight:340.5
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:340.26135963
Monoisotopic Mass:340.26135963
Topological Polar Surface Area:69.9
Heavy Atom Count:24
Complexity:492
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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