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Cholesteryl methyl carbonate

CAT: 0286-C21080Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C21080Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15507-52-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00021136
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 methyl carbonate
CAS Number15507-52-5
PubChem CID261555
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] methyl carbonate
Molecular FormulaC29H48O3
Molecular Weight444.7
XLogP9.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity711
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC)C)C
InChI
InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey
WHMGDIMLSAAHJQ-OHPSOFBHSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl methyl carbonate
CAS: 15507-52-5
CID: 261555
Formula: C29H48O3
MW: 444.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.7
XLogP39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass444.36034539
Monoisotopic Mass444.36034539
Topological Polar Surface Area35.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity711
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
C20960Cholesteryl hexadecyl carbonate
C20925-01Cholesteryl furfuryl carbonate
C21135-01Cholesteryl oleyl carbonate
C20915Cholesteryl ethyl carbonate 95%
C20908Cholesteryl 2- (2-ethoxyethoxy) ethyl carbonate
C21180Cholesteryl 2-propyn-1-Yl carbonate
C20970-01Cholesteryl hydrocinnamate
C20920-01Cholesteryl formate
C20850-01Cholesteryl chloroformate

Alternative Products

CatalogName
OR1043552-01Cholesteryl Methyl Carbonate
sc-294022ACholesteryl oleyl carbonate
OR1043558Cholesteryl Hexadecyl Carbonate
sc-294019Cholesteryl Isostearyl Carbonate
OR1043551-01Cholesteryl Ethyl Carbonate
sc-294023Cholesteryl P-Nonylphenyl Carbonate
RG-E141083-01(Dimethylamino) methyl methyl carbonate
HY-W127440I-Cholesteryl methyl ether
TRC-B254500-10GBenzyl Methyl Carbonate
TRC-C369305-5GChloromethyl Methyl Carbonate

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