Estradiol; estriol
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Identity
Estradiol; estriol
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
PubChem CID: 3080904
2D Structure
Properties
C36H48O5
Molecular Formula
560.80
Molecular Weight
g/mol
560.3502
Exact Mass
Da
101
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
793
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OSynonyms(20)
Estradiol / estriolestriol,estradiolEstradiol/estriolEstradiol; estriolESTRADIOL;ESTRIOLRefChem:55141BiEST 2.5 Estrogen CreamBiEST 5.0 Estrogen CreamBiEST 2.5 Estrogen Cream (Lavender scented)EstrofemEstrofenBiestEstrofem ForteBi-EstEstriol / Estradiol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Estradiol; estriol
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