???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 | 1 |  |
| CAS Number | 545-45-9 | |
| Generic Name | Zygadenine | |
| Is Public | false | |
| Synonyms | Zygadenine ； Zygadenin ； UNII-0N72U4OAF7 ； 545-45-9 ； 0N72U4OAF7 ； C10831 ； CHEBI:10130 ； DTXSID40969682 ； 4,9-Epoxycevane-3,4,14,15,16,20-hexol ； Q27108597 ； Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, (3beta,4alpha,15alpha,16beta)- ； (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol | |
| Ceate Date | ||
| Comments | ||
| Refs | ||
| Catalogues |
Properties
| Molecular Weight | Abs Weight | Rotatable Bonds | HB Acceptors | HB Donors | LogP | TPSA | Formal Charge |
| 493.6 | 493.63282 | 0 | 8 | 6 | 0.153 | 134.0 | 0.0 |
Structure and Representation
| Molecular Formula | C27H43NO7 |
| Iupac Name | (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol |
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)CC[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)(C)O |
| Standard InChI | InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1 |
| Standard InChI Key | NPNDUIMQBJIGQS-IDFKWMMPSA-N |
| Metling_Point | |
| Character | |
| Optical_Rotation | |
| 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 | 6 |
Linked
| ???xiangguanfangji??? | |
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| ???xiangguanzhiwu??? | |
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| ???xiangguanbabiao??? | |
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ADMET
