AG003OVE

4351-55-7 | Cholesteryl formate

AG003OVE

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CAS Number	4351-55-7
Catalog Number	AG003OVE(AGN-PC-0RRT6I)
Chemical Name	Cholesteryl formate
EC Number	224-416-9
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] formate
InChI	InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChI Key	YEYCQJVCAMFWCO-PXBBAZSNSA-N
MDL Number	MFCD00046243
Molecular Formula	C28H46O2
Molecular Weight	414.6636
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4CC(OC=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Synonyms	Cholesterol Formate, Cholesteryl formate, 4351-55-7, 5-Cholesten-3.beta.-ol formate, 3beta-Acetoxy-cholest-5-ene, Cholest-5-en-3beta-yl formate, EINECS 224-416-9, Cholest-5-en-3-ol (3.beta.)-, formate, AC1L4WAR, Formic Acid Cholesterol Ester, SCHEMBL1045464, CTK8B1696, YEYCQJVCAMFWCO-PXBBAZSNSA-N, [(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] formate, ZINC5758807, ANW-30003, MFCD00046243, AKOS015837667, Cholest-5-en-3-yl formate, (3.beta.)-, TR-031854, 351C557, C-49278, W-106223, I14-105445, 5-cholesten-3|A-ol formate, C28H46O2, AR-1G7892, c0671, CID165217, C28-H46-O2, Cholesterol formate, 97% - 10G 10g, 5428-15-9,

Complexity	651
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	414.35g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	414.674g/mol
Monoisotopic Mass	414.35g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.1

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

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