Ivorine
[(7Z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate
Also Known As: Ivorine|delta-2(1H),alpha-Phenanthreneacetic acid, dodecahydro-7-hydroxy-10-oxo-1,4b,8,8-tetramethyl-, 2-(methylamino)ethyl ester, 3-methylcrotonate (ester)|[(7Z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate
| Molecular Formula | C28H43NO5 |
|---|---|
| Molecular Weight | 473.31412 g/mol |
| LogP | 4.631 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.31412 |
| Monoisotopic Mass | 473.31412 |
| Heavy Atoms | 34 |
| Complexity | 868.0223 |
Chemical Identifiers
| CAS Number | 1748-19-2 |
|---|---|
| SMILES | CC\1C2C(CC/C1=C/C(=O)OCCNC)C3(CCC(C(C3CC2=O)(C)C)OC(=O)C=C(C)C)C |
Product Overview
Ivorine (CAS 1748-19-2), with molecular formula C28H43NO5 and molecular weight 473.31412 g/mol. IUPAC: [(7Z)-1,1,4a,8-tetramethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-methylbut-2-enoate.
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