(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid
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![(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f06589146374611a5e4c57cb6533d1f.png "(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid")
(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid
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CAS No:
40819-81-6
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Formula:
C20H28O5
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Chemical Name:
(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid
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Synonyms:
Phenanthro[3,2-b]furan-7-carboxylic acid,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-5,6-dihydroxy-4,4,11b-trimethyl-,(4aS,5R,6R,6aR,7S,11aS,11bR)-;Phenanthro[3,2-b]furan-7-carboxylic acid,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-5,6-dihydroxy-4,4,11b-trimethyl-,[4aS-(4aα,5α,6β,6aβ,7β,11aα,11bβ)]-;(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid;6α,7β-Dihydroxyvouacapan-17β-oic acid
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CAS No:
(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro[3,2-b]furan-7-carboxylic acid Basic Attributes
348.4 g/mol
348.43
Computed Properties
Molecular Weight:348.4
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:348.19367399
Monoisotopic Mass:348.19367399
Topological Polar Surface Area:90.9
Heavy Atom Count:25
Complexity:560
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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