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16732-83-5 | Cholest-1-ene
CAS No: 16732-83-5 Catalog No: AG001XBN MDL No:
Product Description
Catalog Number:
AG001XBN
Chemical Name:
Cholest-1-ene
CAS Number:
16732-83-5
Molecular Formula:
C27H46
Molecular Weight:
370.6541
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h7,17,19-25H,6,8-16,18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key:
MRKRQGONFROXPO-LDHZKLTISA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)C=CCC2)C)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
370.36g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.665g/mol
Monoisotopic Mass:
370.36g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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