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Cholesteryl hexadecyl carbonate

CAT: 0286-C20960Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0286-C20960Size:500 mg
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CAS Number
15455-87-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00037702
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Cholesteryl hexadecyl carbonate
CAS Number15455-87-5
PubChem CID17999317
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] hexadecyl carbonate
Molecular FormulaC44H78O3
Molecular Weight655.1
XLogP17.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count23
Heavy Atom Count47
Formal Charge0
Complexity938
SMILES
CCCCCCCCCCCCCCCCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C44H78O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-46-42(45)47-37-28-30-43(5)36(33-37)24-25-38-40-27-26-39(35(4)23-21-22-34(2)3)44(40,6)31-29-41(38)43/h24,34-35,37-41H,7-23,25-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKey
GCKXFAZCNWKZAW-BFGJSWSOSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl hexadecyl carbonate
CAS: 15455-87-5
CID: 17999317
Formula: C44H78O3
MW: 655.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight655.1
XLogP317.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count23
Exact Mass654.59509635
Monoisotopic Mass654.59509635
Topological Polar Surface Area35.5 Ų
Heavy Atom Count47
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
C20930-01Cholesteryl geranyl carbonate
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C21080Cholesteryl methyl carbonate
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C20908Cholesteryl 2- (2-ethoxyethoxy) ethyl carbonate
C21180Cholesteryl 2-propyn-1-Yl carbonate
C20970-01Cholesteryl hydrocinnamate
C20920-01Cholesteryl formate
C20850-01Cholesteryl chloroformate

Alternative Products

CatalogName
OR1043558Cholesteryl Hexadecyl Carbonate
sc-294022ACholesteryl oleyl carbonate
sc-294019Cholesteryl Isostearyl Carbonate
OR1043551-01Cholesteryl Ethyl Carbonate
OR1043552-01Cholesteryl Methyl Carbonate
sc-294023Cholesteryl P-Nonylphenyl Carbonate
AR-C02285-012-amino-5-methylphenyl hexadecyl carbonate
289555-01Succinimidyl-1,2-di-O-hexadecyl-rac-glyceryl carbonate
JH256663Hexadecyl povidone (4 hexadecyl branches/repeat)
278695-01Hexadecyl isocyanate

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