???kuaisusuoyin???- 1.Compound Report
- 2.Properties
- 3.Structure and Representation
- 4.External Links
- 5.Substance of the Compound
- 6.Linked
- 7.ADMET
Compound Report
| Compound ID | 5 |  |
| CAS Number | ||
| Generic Name | Zoapatanol | |
| Is Public | false | |
| Synonyms | Zoapatanol ； 71117-51-6 ； SCHEMBL7774561 ； SCHEMBL7774563 ； CHEBI:10123 ； C09205 ； Q27108594 ； (6R)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one | |
| Ceate Date | ||
| Comments | ||
| Refs | ||
| Catalogues |
Properties
| Molecular Weight | Abs Weight | Rotatable Bonds | HB Acceptors | HB Donors | LogP | TPSA | Formal Charge |
| 338.5 | 338.48156 | 8 | 4 | 2 | 3.5669 | 66.8 | 0.0 |
Structure and Representation
| Molecular Formula | C20H34O4 |
| Iupac Name | (6R)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one |
| SMILES | C[C@H](CCC[C@]1([C@@H](CC/C(=C\CO)/CO1)O)C)C(=O)CC=C(C)C |
| Standard InChI | InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1 |
| Standard InChI Key | XRDHAXIOHKTIGF-JECBFZOVSA-N |
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| Mol Files | Download mol File Download mol2 File |
| 2D Structure Viewer | Click Here to View 2D Structure |
| 3D Structure Viewer | Click Here to View 3D Structure |
External Links
| External Links | chemmapper |
Substance Information
| substance | 0 |
Linked
| ???xiangguanfangji??? | |
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| ???xiangguanzhiwu??? | |
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| ???xiangguanbabiao??? | |
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ADMET
