 Home > Encyclopedia > [(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

[(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

[(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate structure

CAS No:
34084-03-2
Formula:
C24H34O9
Chemical Name:
[(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Synonyms:
DTXSID50955637;34084-03-2;3,15-Bis(acetyloxy)-4-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate

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[(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate Basic Attributes

Molecular Weight：

466.5 g/mol

Exact Mass：

466.22028266 g/mol

Characteristics

PSA：

121 Å²

Safety Information

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:466.5
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:466.22028266
Monoisotopic Mass:466.22028266
Topological Polar Surface Area:121
Heavy Atom Count:33
Complexity:881
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2R,4S,7R,9R,10R,11S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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