ethyl 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate

Modify Date: 2025-11-25 14:02:06

ethyl 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate Structure
ethyl 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate structure
Common Name ethyl 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate
CAS Number 127882-59-1 Molecular Weight 547.55300
Density 1.371g/cm3 Boiling Point 743.8ºC at 760 mmHg
Molecular Formula C30H29NO9 Melting Point N/A
MSDS N/A Flash Point 403.7ºC

 Names

Name ethyl 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate

 Chemical & Physical Properties

Density 1.371g/cm3
Boiling Point 743.8ºC at 760 mmHg
Molecular Formula C30H29NO9
Molecular Weight 547.55300
Flash Point 403.7ºC
Exact Mass 547.18400
PSA 121.78000
LogP 4.47570
Vapour Pressure 6.99E-23mmHg at 25°C
Index of Refraction 1.638
InChIKey ZNWQWFQNGLVVJN-CTUKQDLSSA-N
SMILES CCOC(=O)c1ccc(NC2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC23)OCO4)cc1

 Precursor & DownStream

Precursor  2

DownStream  0

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