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Home > Other Building Blocks > 17711-16-9
17711-16-9 | Cholest-5-ene-3,22-diol, (3β)-
CAS No: 17711-16-9 Catalog No: AG00254Q MDL No:
Product Description
Catalog Number:
AG00254Q
Chemical Name:
Cholest-5-ene-3,22-diol, (3β)-
CAS Number:
17711-16-9
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
IUPAC Name:
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1
InChI Key:
RZPAXNJLEKLXNO-UKNNTIGFSA-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)O)C)O)C
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
402.35g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.663g/mol
Monoisotopic Mass:
402.35g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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