ALDOSTERONE

About This Item

Molecular Formula	C₂₁H₂₈O₅
CAS Number	52-39-1

FC-0378565

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Properties

Chemical Identifiers

IUPAC Name	(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
SMILES	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
InChI Key	PQSUYGKTWSAVDQ-ZVIOFETBSA-N
InChI	InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1

Physical Properties

Boiling Point	568.1±50.0 °C at 760 mmHg
Melting Point	166.5 °C
Flash Point	311.4±26.6 °C
Density	1.3±0.1 g/cm3

Safety Information

Hazard Class

GHS02, GHS07

Flash Point

311.4±26.6 °C

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.