AG001N0N

1510-21-0 | Cholest-5-en-3-ol (3β)-, 3-(hydrogen butanedioate)

AG001N0N

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CAS Number	1510-21-0
Catalog Number	AG001N0N(AGN-PC-0Q5JB8)
Chemical Name	Cholest-5-en-3-ol (3β)-, 3-(hydrogen butanedioate)
EC Number	216-148-6
IUPAC Name	4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
InChI	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChI Key	WLNARFZDISHUGS-MIXBDBMTSA-N
MDL Number	MFCD00037705
Molecular Formula	C31H50O4
Molecular Weight	486.7263
SMILES	C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(CCC(O)=O)=O)CC2)[H])[H]
UNII	T3J4KS4201
Synonyms	cholesterol hydrogen succinate, cholesterol-hemisuccinate, cholesteryl hemisuccinate, cholesteryl succinate, cholesteryl succinate, sodium salt, (3beta)-isomer, Cholesteryl hemisuccinate, 1510-21-0, Cholesterol Hydrogen Succinate, Cholesteryl succinate, UNII-T3J4KS4201, Cholesteryl hydrogen succinate, Cholest-5-en-3beta-yl hydrogen succinate, WLNARFZDISHUGS-MIXBDBMTSA-N, T3J4KS4201, Cholesterol hemisuccinate, 4-[(3beta)-Cholest-5-en-3-yloxy]-4-oxobutanoic acid, 4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid, Cholesterylhemisuccinate, 3|A-Hydroxy-5-cholestene 3-hemisuccinate, EINECS 216-148-6, 3beta-Hydroxy-5-cholestene 3-hemisuccinate, NSC 628321, AC1L22JV, SCHEMBL330610, Cholest-5-en-3-ol (3.beta.)-, hydrogen butanedioate, CTK4C6854, CHEBI:138742, Succinic Acid Monocholesterol Ester, 5-Cholesten-3|A-ol 3-hemisuccinate, 7562AA, ANW-21308, MFCD00037705, ZINC58638837, 3-cholesteryloxycarbonylpropanoic acid, AKOS015839518, AK116013, AS-46683, SC-66714, 5-Cholesten-3.beta.-ol hydrogen succinate, AJ-113171, TR-035775, 3.beta.-(3-Carboxypropanoyloxy)cholest-5-ene, 510C210, C-36314, W-108066, Cholest-5-en-3-ol (3b)-, 3-(hydrogen butanedioate), Cholest-5-en-3-ol (3beta)-, 3-(hydrogen butanedioate), cholesterol succinate, cholesterol-hemisuccinate, C31H50O4, CID65082, c0674, C31-H50-O4, 3beta-Hydroxy-5-cholestene3-hemisuccinate, C013440, cholesteryl succinate, sodium salt, (3beta)-isomer, Y01,

Complexity	815
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	486.371g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	486.737g/mol
Monoisotopic Mass	486.371g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number