Scirpentriol
(1R,2R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol
Also Known As: Scirpentriol|Anguidol|Scirpene-3,4,15-triol|ANGUIDINE DERIV SCIRPENTRIOL|KST-1A2936|BL 5731|(3|A,4|A,5|A)-12,13-epoxytrichothec-9-ene-3,4,15-triol|(2S)-hydroxymethyl(dimethyl)spiro[[?]-2,2'-oxirane]diol|Trichothec-9-ene-3-alpha,4-beta,15-triol, 12,13-epoxy-|Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (3alpha,4beta)-|Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (3.alpha.,4.beta.)-
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.14673 g/mol |
| LogP | -0.02 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 484.7 |
Chemical Identifiers
| CAS Number | 23261-58-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO |
Product Overview
Scirpentriol (CAS 23261-58-7), with molecular formula C15H22O5 and molecular weight 282.14673 g/mol. IUPAC: (1R,2R,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol.
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