9,11-Seco-11-hydroxyestradiol structure

9,11-Seco-11-hydroxyestradiol

6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Also Known As: 9,11-Seco-11-hydroxyestradiol|2-Naphthalenol, 5,6,7,8-tetrahydro-6-(3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl)-, (1S-(1-alpha(S*),2-beta,3-alpha))-|6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol|6-[3-Hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol

CAS: 56502-09-1
Molecular Formula C18H26O3
Molecular Weight 290.1882 g/mol
LogP 2.6567
Topological Polar Surface Area 60.69 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 290.1882
Monoisotopic Mass 290.1882
Heavy Atoms 21
Complexity 513.18494

Chemical Identifiers

CAS Number 56502-09-1
SMILES C[C@@]1([C@@H](CC[C@H]1O)C2CCC3=C(C2)C=CC(=C3)O)CCO

Product Overview

9,11-Seco-11-hydroxyestradiol (CAS 56502-09-1), with molecular formula C18H26O3 and molecular weight 290.1882 g/mol. IUPAC: 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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