Ivorine structure

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

CAS: 1748-19-2
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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