diethylstilbestrol bisglucuronide

Modify Date: 2024-09-10 12:03:17

diethylstilbestrol bisglucuronide Structure
diethylstilbestrol bisglucuronide structure
Common Name diethylstilbestrol bisglucuronide
CAS Number 53915-13-2 Molecular Weight 620.59800
Density N/A Boiling Point N/A
Molecular Formula C30H36O14 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2S,3S,4S,5R,6S)-6-[4-[(E)-4-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]hex-3-en-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C30H36O14
Molecular Weight 620.59800
Exact Mass 620.21100
PSA 232.90000
InChIKey GLYFELVFXJPMLG-QNUMSDSXSA-N
SMILES CCC(=C(CC)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1

 Synonyms

Diethylstilbestrol diglucuronide
Diethylstilbestrol bisglucuronide
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