Estetrol

About This Item

Molecular Formula	C₁₈H₂₄O₄
CAS Number	15183-37-6

FC-0367029

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Properties

Chemical Identifiers

IUPAC Name	(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
SMILES	CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O
InChI Key	AJIPIJNNOJSSQC-NYLIRDPKSA-N
InChI	InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

Physical Properties

Boiling Point	491.9±45.0
Melting Point	233-236

Safety Information

Hazard Class

Danger

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.