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101462-56-0 | Cholesten-3-ol, (3β,5α)- (9CI)
CAS No: 101462-56-0 Catalog No: AG0004IT MDL No:
Product Description
Catalog Number:
AG0004IT
Chemical Name:
Cholesten-3-ol, (3β,5α)- (9CI)
CAS Number:
101462-56-0
Molecular Formula:
C27H46O
Molecular Weight:
386.6535
IUPAC Name:
10,13-dimethyl-17-(6-methylhept-6-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h19-25,28H,1,6-17H2,2-5H3
InChI Key:
RWHKYCDNDDPMGB-UHFFFAOYSA-N
SMILES:
CC(=C)CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.355g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.664g/mol
Monoisotopic Mass:
386.355g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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