Desonide-21-aldehyde Hydrate

Catalog:	BB068444
Product Name:	Desonide-21-aldehyde Hydrate
Synonyms:	(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-(2,2-Dihydroxyacetyl)-7-hydroxy-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one

Technical Data

IUPAC Name:	(1S,2S,4R,8R,9R,11S,12S,13R)-8-(2,2-dihydroxyacetyl)-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Description:	(6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-8b-(2,2-Dihydroxyacetyl)-7-hydroxy-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one is used in the preparation of pregnan-21-oic acid esters with antiinflammatory activity.
Molecular Weight:	432.51
Molecular Formula:	C24H32O7
Canonical SMILES:	CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)C(O)O)C)O)C)C
InChI:	InChI=1S/C24H32O7/c1-21(2)30-17-10-15-14-6-5-12-9-13(25)7-8-22(12,3)18(14)16(26)11-23(15,4)24(17,31-21)19(27)20(28)29/h7-9,14-18,20,26,28-29H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,18+,22-,23+,24+/m0/s1
InChI Key:	AYUKCOQZVROATE-VIKXARGZSA-N
Melting Point:	187 - 193°C
Solubility:	Chloroform (Slightly), DMSO (Slightly)
Appearance:	White to Pale Yellow Solid
Storage:	-20°C, Inert atmosphere
References:	Laurent, H., et. al. J. Steroid Biochem., 6, 185 (1975).

Complexity:	904
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	8
Defined Bond Stereocenter Count:	0
Exact Mass:	432.21480336
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	432.21480336
Rotatable Bond Count:	2
Topological Polar Surface Area:	113Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3