7ß-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt, min.99% (HPLC)

Name: 7ß-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt
Brand: Chempure
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CAS Number

105449-93-2

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IUPAC name	2-aminoethanol;4-[[(3S,7S,8S,9R,10R,13R,14R,17R)-7-(3-carboxypropanoyloxy)-8,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
inchi	InChI=1S/C36H56O8.C2H7NO/c1-22(2)8-7-9-23(3)26-10-11-27-35(26,5)19-17-28-34(4)18-16-25(43-32(41)14-12-30(37)38)20-24(34)21-29(36(27,28)6)44-33(42)15-13-31(39)40;3-1-2-4/h21-23,25-29H,7-20H2,1-6H3,(H,37,38)(H,39,40);4H,1-3H2/t23-,25+,26-,27-,28-,29+,34+,35-,36+;/m1./s1
inchi key	SNQDZZHBKIWLHY-BYLIBKKASA-N
molecular formula	C38H63NO9
synonyms	105449-93-2 7-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt 7ss-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt 7-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt; min. 99% 2-aminoethanol;4-[[(3S,7S,8S,9R,10R,13R,14R,17R)-7-(3-carboxypropanoyloxy)-8,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

Computed Properties

Molecular Weight:	677.9 g/mol
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	10
Rotatable Bond Count:	16
Exact Mass:	677.45028259 Da
Monoisotopic Mass:	677.45028259 Da
Topological Polar Surface Area:	173 Å²
Heavy Atom Count:	48
Formal Charge:	0
Complexity:	1140
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	9
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

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Product No: DT8552

7ß-Hydroxy-cholesteryl-bishemisuccinate-diethanolamine salt, min.99% (HPLC)

Product No: DT8552

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