16-Epiestriol

(8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

CAS: 547-81-9

Molecular Formula	`C18H24O3`
Molecular Weight	288.4 g/mol
LogP	2.5
Topological Polar Surface Area	60.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	288.17255
Heavy Atoms	21
Complexity	411.0

Chemical Identifiers

CAS Number	547-81-9
SMILES	`CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O`
InChIKey	`PROQIPRRNZUXQM-ZMSHIADSSA-N`

📖 Product Overview

16-Epiestriol (CAS: 547-81-9) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol. LogP 2.5 Topological Polar Surface Area 60.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 288.17255 Heavy Atoms 21 Complexity 411.0 InChI Key: PROQIPRRNZUXQM-ZMSHIADSSA-N. SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O.

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