15,16-Dehydroestrone structure

15,16-Dehydroestrone

3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one

Also Known As: 15,16-Dehydroestrone|Estra-1,3,5(10),15-tetraen-17-one, 3-hydroxy-|3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one

CAS: 3563-25-5
Molecular Formula C18H20O2
Molecular Weight 268.14633 g/mol
LogP 3.6
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 268.14633
Monoisotopic Mass 268.14633
Heavy Atoms 20
Complexity 454.0

Chemical Identifiers

CAS Number 3563-25-5
SMILES CC12CCC3C(C1C=CC2=O)CCC4=C3C=CC(=C4)O
InChIKey CCMDDSSGLUJFMA-UHFFFAOYSA-N

Product Overview

15,16-Dehydroestrone (CAS 3563-25-5), with molecular formula C18H20O2 and molecular weight 268.14633 g/mol. IUPAC: 3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one.

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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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