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10146-89-1 | Cholestane-2,3-diol, (2β,3β,5α)-
CAS No: 10146-89-1 Catalog No: AG0004J3 MDL No:
Product Description
Catalog Number:
AG0004J3
Chemical Name:
Cholestane-2,3-diol, (2β,3β,5α)-
CAS Number:
10146-89-1
Molecular Formula:
C27H48O2
Molecular Weight:
404.6688
IUPAC Name:
(2S,3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
InChI:
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27+/m1/s1
InChI Key:
NWQBDOPDVUJEGJ-DDLCNDOBSA-N
SMILES:
CC(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)C[C@H](O)[C@@H](C2)O)C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
404.365g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.679g/mol
Monoisotopic Mass:
404.365g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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