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Structure

1,3,5[10]-Estratriene-3,17beta-diol 3-glucuronide 17-sulfate dipotassium salt

CAS
99156-45-3
Catalog Number
ACM99156453
Category
Other Products
Molecular Weight
604.75
Molecular Formula
C24H30K2O11S

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Specification

Synonyms
beta-Estradiol 3-(beta-D-glucuronide) 17-sulfate dipotassium salt, 99156-45-3, E2128_SIGMA, CTK8G3971, AG-L-65125, |A-Estradiol 3-(|A-D-glucuronide) 17-sulfate dipotassium salt, 1,3,5(10)-Estratriene-3,17|A-diol 3-glucuronide 17-sulfate, 1,3,5(10)-Estratriene-3,17beta-diol 3-glucuronide 17-sulfate, 3,17|A-Dihydroxy-1,3,5(10)-estratriene 3-glucuronide 17-sulfate, 3,17beta-Dihydroxy-1,3,5(10)-estratriene 3-glucuronide 17-sulfate
IUPAC Name
potassium;3,4,5-trihydroxy-6-[(13-methyl-17-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid
Canonical SMILES
CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O.[K]
InChI Key
VNSWOHHNKXNEBZ-UHFFFAOYSA-N
Exact Mass
604.07800
Hazard Statements
Xn
H-Bond Acceptor
11
H-Bond Donor
5
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