Estriol 3-sulfate

[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

CAS: 481-95-8

Molecular Formula	`C18H24O6S`
Molecular Weight	368.4 g/mol
LogP	1.9
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	368.12936
Heavy Atoms	25
Complexity	616.0

Chemical Identifiers

CAS Number	481-95-8
SMILES	`CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O`
InChIKey	`ZORQMBLUMWNJEQ-ZXXIGWHRSA-N`

📖 Product Overview

Estriol 3-sulfate (CAS: 481-95-8) is a chemical compound with molecular formula C18H24O6S and molecular weight 368.4 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate. LogP 1.9 Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 368.12936 Heavy Atoms 25 Complexity 616.0 InChI Key: ZORQMBLUMWNJEQ-ZXXIGWHRSA-N. SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.

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