AG003OVH

1062-96-0 | 5-Cholesten-3β-ol caproate

AG003OVH

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CAS Number	1062-96-0
Catalog Number	AG003OVH(AGN-PC-0OVUD9)
Chemical Name	5-Cholesten-3β-ol caproate
EC Number	213-899-1
IUPAC Name	[(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] hexanoate
InChI	InChI=1S/C33H56O2/c1-7-8-9-13-31(34)35-26-18-20-32(5)25(22-26)14-15-27-29-17-16-28(24(4)12-10-11-23(2)3)33(29,6)21-19-30(27)32/h14,23-24,26-30H,7-13,15-22H2,1-6H3/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChI Key	FPBODWXATDKICU-FLFWOSPYSA-N
MDL Number	MFCD00037707
Molecular Formula	C33H56O2
Molecular Weight	484.7965
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(CCCCC)=O)CC2)[H])[H]
Synonyms	1062-96-0, Cholesterol Hexanoate, Cholesteryl hexanoate, Cholesteryl caproate, 5-Cholesten-3|A-ol caproate, MFCD00037707, Cholest-5-en-3beta-ol hexanoate, Cholest-5-en-3beta-yl hexanoate, Hexanoic Acid Cholesterol Ester, 5-Cholesten-3beta-ol-3-hexanoate, 3beta-Hydroxy-5-cholestene 3-hexanoate, EINECS 213-899-1, cholesterol n-hexanoate, Cholest-5-en-3-ol (3beta)-, hexanoate, AC1L2RUT, SCHEMBL162695, 5-Cholesten-3beta-ol caproate, CTK8A9125, 5-Cholesten-3beta-ol 3-hexanoate, [(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] hexanoate, ANW-15328, ZINC38601597, AKOS025310953, AN-48358, TC-104073, C-48325, [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate, Cholesteryl oleate, cholesterol caproate, cholest-5-en-3|A-ol hexanoate, C33H56O2, AR-1I2142, c0673, CID101953, C33-H56-O2, Cholest-5-en-3-ol (3.beta.)-, hexanoate, 107471-24-9, 2OB,

Complexity	752
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	484.428g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	484.809g/mol
Monoisotopic Mass	484.428g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number