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10148-99-9 | 5α-Androstane-3α,17β-diol, 3-ethyl- (7CI,8CI)
CAS No: 10148-99-9 Catalog No: AG0004L2 MDL No:
Product Description
Catalog Number:
AG0004L2
Chemical Name:
5α-Androstane-3α,17β-diol, 3-ethyl- (7CI,8CI)
CAS Number:
10148-99-9
Molecular Formula:
C15H30O3
Molecular Weight:
258.3969
IUPAC Name:
(3R,5S,8R,9S,10S,13S,14S,17S)-3-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C21H36O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21+/m0/s1
InChI Key:
LLYZBWQKINZAKR-UAMJIQGISA-N
SMILES:
CCCCCCCCCCCC(=O)OCCCO
UNII:
X79WYT048C
NSC Number:
37852
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
320.272g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.517g/mol
Monoisotopic Mass:
320.272g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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