???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 | 3 |  |
| CAS Number | 2777-79-9 | |
| Generic Name | Zygacine | |
| Is Public | false | |
| Synonyms | Zygacine ； 2777-79-9 ； SCHEMBL14052760 ； DTXSID00950455 ； Cevane-3beta,4beta,14,15alpha,16beta,20-hexol, 4,9-epoxy-, 3-acetate ； 4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl acetate | |
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Properties
| Molecular Weight | Abs Weight | Rotatable Bonds | HB Acceptors | HB Donors | LogP | TPSA | Formal Charge |
| 535.7 | 535.6695 | 2 | 9 | 5 | 0.7238 | 140.0 | 0.0 |
Structure and Representation
| Molecular Formula | C29H45NO8 |
| Iupac Name | [(2S,6S,9S,10S,11R,19S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate |
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7[C@@]5(CCC(C7(O6)O)OC(=O)C)C)(C)O |
| Standard InChI | InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3/t14-,16-,17?,18?,19?,20-,21?,22+,23?,24?,25-,26+,27?,28?,29?/m0/s1 |
| Standard InChI Key | IGDRXLIXNAWBBF-UFWHGLMDSA-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 | 6 |
Linked
| ???xiangguanfangji??? | |
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| ???xiangguanzhiwu??? | |
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| ???xiangguanbabiao??? | |
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ADMET
