AG003OUT

633-31-8 | Cholest-5-en-3-ol (3β)-, 3-propanoate

AG003OUT

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CAS Number	633-31-8
Catalog Number	AG003OUT(AGN-PC-0T7YRN)
Chemical Name	Cholest-5-en-3-ol (3β)-, 3-propanoate
EC Number	211-191-7
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] propanoate
InChI	InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
InChI Key	CCORPVHYPHHRKB-NXUCFJMCSA-N
MDL Number	MFCD00021143
Molecular Formula	C30H50O2
Molecular Weight	442.7168
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CC)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Synonyms	cholesteryl n-propionate, Cholesterol Propionate, Cholesteryl propionate, 633-31-8, Cholesterol, propionate, Cholesterol n-propionate, Propionyloxy-3.beta. cholestene-5, Cholesterinpropionat, cholesteryl propanoate, Cholest-5-en-3-ol (3beta)-, 3-propanoate, Cholest-5-en-3-ol (3.beta.)-, 3-propanoate, AC1MC2DT, SCHEMBL161165, Propionic Acid Cholesterol Ester, CTK8B2063, CCORPVHYPHHRKB-NXUCFJMCSA-N, Cholest-5-en-3-yl propionate #, 3.beta.-Propanoyloxycholest-5-ene, ZINC4284411, ANW-34614, MFCD00021143, AKOS015839618, (3beta)-Cholest-5-en-3-yl propionate, Cholest-5-en-3-ol (3 beta)-, propanoate, TL8004414, TR-021814, W-104917, (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl propionate, [(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] propanoate, Cholesteryl n-propionate, Cholesterol hemisuccinate, cc-272, Propionyloxy-3beta cholestene-5, Cholest-5-en-3beta-yl propionate, C30H50O2, EINECS 211-191-7, c0676, C30-H50-O2, CID2734988, NSC 226871, Cholest-5-en-3-ol (3.beta.)-, propanoate, Y01,

Complexity	708
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	442.381g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	442.728g/mol
Monoisotopic Mass	442.381g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.6

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