Home Halogens Cholesteryl chloroformate

Cholesteryl chloroformate

CAS No.:
7144-08-3
Catalog Number:
AG003OVD
Molecular Formula:
C28H45ClO2
Molecular Weight:
449.1087
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Product Description
Catalog Number:
AG003OVD
Chemical Name:
Cholesteryl chloroformate
CAS Number:
7144-08-3
Molecular Formula:
C28H45ClO2
Molecular Weight:
449.1087
MDL Number:
MFCD00003633
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] carbonochloridate
InChI:
InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
InChI Key:
QNEPTKZEXBPDLF-JDTILAPWSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)Cl)C)C
EC Number:
230-447-9
NSC Number:
59689
Properties
Complexity:
699  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
448.311g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.116g/mol
Monoisotopic Mass:
448.311g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2  
Properties