Structure

Cholesterol heptanoate

CAS
1182-07-6
Catalog Number
ACM1182076
Category
Steroidal Compounds; Cholesteryl Esters
Molecular Weight
498.8
Molecular Formula
C34H58O2

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Specification

Synonyms
Heptanoic Acid Cholesterol Ester
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] heptanoate
Canonical SMILES
CCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI Key
KXWDMNPRHKRGKB-DYQRUOQXSA-N
Boiling Point
553.5ºC at 760mmHg
Melting Point
113ºC
Flash Point
286.5ºC
Density
0.97g/cm³
Appearance
Powder to crystal
CNo.Chain
C7:0
Compound Derivative
Heptanoate
EC Number
214-654-1
Exact Mass
498.44400
H-Bond Acceptor
2
H-Bond Donor
0
Physical State
Powder to crystal
Safety Description
24/25
WGK Germany
3
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