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125372-16-9 | Cholest-5-en-3-ol (3β)-, 9-octadecenoate-9,10-t2, (Z)- (9CI)
CAS No: 125372-16-9 Catalog No: AG000NKG MDL No:
Product Description
Catalog Number:
AG000NKG
Chemical Name:
Cholest-5-en-3-ol (3β)-, 9-octadecenoate-9,10-t2, (Z)- (9CI)
CAS Number:
125372-16-9
IUPAC Name:
[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-9,10-ditritiooctadec-9-enoate
InChI:
InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,35-42H,7-13,16-34H2,1-6H3/b15-14-/t36-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1/i14T,15T
InChI Key:
PRLUQOOFPFWUKQ-WNPCHIOPSA-N
Properties
Complexity:
921
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
656.632g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
657.149g/mol
Monoisotopic Mass:
656.632g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
17.4
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