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Chemical structure of Equilin (7-Dehydroestrone)

GC34006

Equilin (7-Dehydroestrone)

Also known as 3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

Equilin (7-Dehydroestrone) (7-Dehydroestrone) is an important member of the large group of oestrogenic substances and is chemically related to menformon (oestrone)

ChemicalCAS474-86-2MW268.35FormulaC18H20O2
CAS number
474-86-2
Molecular weight
268.35
Formula
C18H20O2
Solubility
DMSO： 100 mg/mL (372·65 mM)
InChIKey
WKRLQDKEXYKHJB-UHFFFAOYSA-N
Catalogue number
GC34006
Brand
GLPBIO
Computed properties PubChem CID 3247 · XLogP 2.9 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.9
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O

Computed descriptors from PubChem (CID 3247), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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