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114391-82-1 | Acetamide, N-[(3α,5α,6α)-3-hydroxycholestan-6-yl]- (9CI)
CAS No: 114391-82-1 Catalog No: AG000B8J MDL No:
Product Description
Catalog Number:
AG000B8J
Chemical Name:
Acetamide, N-[(3α,5α,6α)-3-hydroxycholestan-6-yl]- (9CI)
CAS Number:
114391-82-1
Molecular Formula:
C29H51NO2
Molecular Weight:
445.7207
IUPAC Name:
N-[3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]acetamide
InChI:
InChI=1S/C29H51NO2/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30-20(4)31)26-16-21(32)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-27,32H,7-17H2,1-6H3,(H,30,31)
InChI Key:
YDLOWHCLDZBVMN-UHFFFAOYSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]([C@@H]2[C@]1(C)CC[C@H](C2)O)NC(=O)C)C)C
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.392g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.732g/mol
Monoisotopic Mass:
445.392g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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