Dihydrocubebin
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Also Known As: Dihydrocubebin|(-)-Dihydrocubebin|Cubebin, dihydro-|(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol|KST-1A3467|HY-N10421|1,4-Butanediol, 2,3-dipiperonyl-, (-)-|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R*,R*)-(-)-|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)-|(2R,3R)-2,3-bis[(2H-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))-|(2R,3R)-2,3-Bis(1,3-benzodioxole-5-ylmethyl)-1,4-butanediol|(2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol|(2R,3R)-2,3-Bis[(1,3-benzodioxole-5-yl)methyl]-1,4-butanediol|1,4-Butanediol,2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)-|[2R,3R,(-)]-2,3-Bis(1,3-benzodioxole-5-ylmethyl)-1,4-butanediol|1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, [R-(R*,R*)]-
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14163 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.14163 |
| Monoisotopic Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 28495-72-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO |
| InChIKey | JKCVMTYNARDGET-HOTGVXAUSA-N |
Product Overview
Dihydrocubebin (CAS 28495-72-9), with molecular formula C20H22O6 and molecular weight 358.14163 g/mol. IUPAC: (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol.