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(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
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![(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aff16d495b5a4dfca09cd439356940c6.png "(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one")
(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
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CAS No:
171864-76-9
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Formula:
C15H22O4
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Chemical Name:
(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
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Synonyms:
Tsugicoline A;NSC689629;Tsugicolin A;CHEMBL1975774;NSC-689629;NCI60_032270;171864-76-9
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CAS No:
(1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one Basic Attributes
266.33 g/mol
266.15180918 g/mol
689629
Computed Properties
Molecular Weight:266.33
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:266.15180918
Monoisotopic Mass:266.15180918
Topological Polar Surface Area:77.8
Heavy Atom Count:19
Complexity:479
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (1S,4S,4aR,7aS,7bR)-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-one
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