NIVALENOL

(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one

Also Known As: NIVALENOL|CCRIS 4141|HSDB 3517|BRN 3625724|nivalenol (stereochemistry not fully defined)|Q409569|3-alpha,4beta,7-alpha,15-tetrahydroxyscirp-9-en-8-one|12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one|3-alpha,4-beta,7-alpha,15-Tetrahydroxyscirp-9-en-8-one|(1S,2R,3S,7R,9R,10R,11S)-3,10,11-Trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one|3-alpha,4-beta,7-alpha,15-Tetrahydroxy-12,13-epoxytrichothec-9-en-8-one|Trichothec-9-en-8-one, 12,13-epoxy-3alpha,4beta,7alpha,15-tetrahydroxy-|(3-alpha,4-beta,7-alpha)-12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one|(3alpha,4beta,7alpha)-3,4,7,15-tetrahydroxy-12,13-epoxytrichothec-9-en-8-one|Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3alpha,4beta,7alpha)-|Trichothec-9-en-8-one, 12,13-epoxy-3.alpha.,4.beta.,7.alpha.,15-tetrahydroxy-|(1S,2R,3S,7R,9R,10R,11S,12R)-3,10,11-Trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one|Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3.alpha.,4.beta.,7.alpha.)-

Molecular Formula	C15H20O7
Molecular Weight	312.1209 g/mol
LogP	-1.87
Topological Polar Surface Area	119.75 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	312.1209
Heavy Atoms	22
Complexity	582.4

Chemical Identifiers

CAS Number	23282-20-4
SMILES	CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO