80483-89-2

Name (2R,3S,22S,24S)-2,3,22,23-TETRAHYDROXY-24-ETHYL-BETA-HOMO-7-OXA-5A-CHOLESTAN-6-ONE
CAS 80483-89-2
EINECS(EC#) 2017-001-1
Molecular Formula C29H50O6
MDL Number MFCD08273936
Molecular Weight 494.7
MOL File 80483-89-2.mol

Chemical Properties

Melting point  193-194°C
Boiling point  643.0±55.0 °C(Predicted)
density  1.103
solubility  DMF:5.0(Max Conc. mg/mL);10.11(Max Conc. mM)
form  A solid
pka 14.27±0.70(Predicted)
color  White to off-white
InChIKey YIWIWAWDXLBOKO-XOIVZQKTNA-N
SMILES O1[C@H](C(C)[C@H](O)[C@@H](O)[C@@H](CC)C(C)C)C2[C@]3(C)C(CCC3)[C@@H](O)[C@@H](O)C2C2CC(=O)CC[C@]2([H])[C@@H]1C |&1:1,4,6,8,15,21,23,32,34,r|
CAS DataBase Reference 80483-89-2
EPA Substance Registry System 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)- (80483-89-2)

Safety Data

WGK Germany  3

Raw materials And Preparation Products

Hazard Information

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