(1S,2R,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-10,11-diol
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(1S,2R,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-10,11-diol
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CAS No:
101199-15-9
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Formula:
C15H22O4
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Chemical Name:
(1S,2R,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-10,11-diol
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Synonyms:
101199-15-9;De-epoxide scirpenetriol;Deepoxy-delta12-scirpenetriol;DTXSID90905979;Trichotheca-9,12-diene-3,4,15-triol, (3alpha,4beta)-;Trichotheca-9,12-diene-3,4,15-triol
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CAS No:
(1S,2R,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-10,11-diol Basic Attributes
266.33 g/mol
266.15180918 g/mol
Computed Properties
Molecular Weight:266.33
XLogP3:-0.3
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:69.9
Heavy Atom Count:19
Complexity:457
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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