 Home > Encyclopedia > [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate

[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate structure

CAS No:
98896-86-7
Formula:
C22H32O8
Chemical Name:
[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate
Synonyms:
98896-86-7;3'-Hydroxy-depoxy HT-2 toxin;Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3-alpha,4-beta,8-alpha)-;DTXSID50913015;15-(Acetyloxy)-3,4-dihydroxytrichotheca-9,12-dien-8-yl 3-hydroxy-3-methylbutanoate

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[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate Basic Attributes

Molecular Weight：

424.5 g/mol

Exact Mass：

424.20971797 g/mol

Characteristics

PSA：

123 Å²

Computed Properties

Molecular Weight:424.5
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:424.20971797
Monoisotopic Mass:424.20971797
Topological Polar Surface Area:123
Heavy Atom Count:30
Complexity:786
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-hydroxy-3-methylbutanoate

Basic Attributes
Characteristics
Computed Properties
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