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100019-24-7 | Cholestane-3,4,6,7,8,15,16,26-octol, (3β,4β,5α,6α,7α,15α,16β,25S)-
CAS No: 100019-24-7 Catalog No: AG0000B9 MDL No:
Product Description
Catalog Number:
AG0000B9
Chemical Name:
Cholestane-3,4,6,7,8,15,16,26-octol, (3β,4β,5α,6α,7α,15α,16β,25S)-
CAS Number:
100019-24-7
Molecular Formula:
C27H48O8
Molecular Weight:
500.6652
IUPAC Name:
17-(7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,7,8,15,16-heptol
InChI:
InChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3
InChI Key:
VYOXQPQXOVKJIA-UHFFFAOYSA-N
SMILES:
OC[C@H](CCC[C@H]([C@H]1[C@@H](O)[C@@H]([C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)[C@H](O)[C@@H]([C@@H]2[C@]1(C)CC[C@@H]([C@@H]2O)O)O)O)C)C
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.335g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
500.673g/mol
Monoisotopic Mass:
500.335g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
15
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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