4,15-Diacetoxyscirpen-3-ol
[(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: Diacetoxyscirpenol|Anguidine|Anguidin|Diazetoxyskirpenol|Anguidine, Anguidin|4,15-Diacetoxyscirpenol|4,15-Diacetoxyscirpen-3-ol|Diazetoxyskirpenol [German]|Scirpenetriol 4,15-diacetate|4,15-Di-O-acetylscirpenol|ANG 66|4,15-Diacetoxyscirp-9-en-3-ol|EINECS 218-873-3|MM 4462|KST-1A3547|4.beta.,13-epoxytrichothec-9-ene|Diacetoxyscirpenol Standard Solution|ANGUIDINE ANALOG DIACETOXYSCIRPENOL|NCI60_001481|Diacetoxyscirpenol 100 microg/mL in Acetonitrile|Scirp-9-ene-3alpha,4beta,15-triol, 4,15-diacetate|BRD-K45724504-001-01-6
| Molecular Formula | C19H26O7 |
|---|---|
| Molecular Weight | 366.16785 g/mol |
| LogP | 1.12 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.16785 |
| Heavy Atoms | 26 |
| Complexity | 681.4 |
Chemical Identifiers
| CAS Number | 2270-40-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C |
Product Overview
4,15-Diacetoxyscirpen-3-ol (CAS 2270-40-8), with molecular formula C19H26O7 and molecular weight 366.16785 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
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