CAS
75801-91-1 Purity
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75801-91-1 Purity
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17 Alpha-ethynylestradiol-17 beta-D-glucopyranosiduronic acid
CAS
75803-39-3
Catalog Number
ACM75803393
Category
Other Products
Molecular Weight
472.53
Molecular Formula
C26H32O8
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Specification
Synonyms
(17α)-3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-17-yl β-D-Glucopyranosiduronic Acid;
IUPAC Name
(2S,3S,4S,5R,6S)-6-[[(13S)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES
CC12CCC3C(C1CCC2(C#C)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O
InChI Key
SQQXJBRONRGLRT-XQQCSVHLSA-N
Boiling Point
699.4ºC at 760 mmHg
Melting Point
156-158ºC
Flash Point
236.5ºC
Density
1.44g/cm³
Appearance
Pale Yellow Solid
Exact Mass
472.21000
H-Bond Acceptor
8
H-Bond Donor
5
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