Tacalcitol

About This Item

Molecular Formula	C₂₇H₄₄O₃
CAS Number	57333-96-7

FC-0842632

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Properties

Chemical Identifiers

IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SMILES	CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
InChI Key	BJYLYJCXYAMOFT-RSFVBTMBSA-N
InChI	InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

Physical Properties

Boiling Point	565.0±50.0 °C at 760 mmHg
Flash Point	238.4±24.7 °C
Density	1.1±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

238.4±24.7 °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.