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123542-81-4 | Spiro[cholestane-3,3'-[1,4,2]dioxazolidine] (9CI)
CAS No: 123542-81-4 Catalog No: AG000KRN MDL No:
Product Description
Catalog Number:
AG000KRN
Chemical Name:
Spiro[cholestane-3,3'-[1,4,2]dioxazolidine] (9CI)
CAS Number:
123542-81-4
Molecular Formula:
C28H49NO2
Molecular Weight:
431.6942
IUPAC Name:
10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-1,4,2-dioxazolidine]
InChI:
InChI=1S/C28H49NO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-28(29-31-18-30-28)16-15-26(21,4)25(22)13-14-27(23,24)5/h19-25,29H,6-18H2,1-5H3
InChI Key:
CRHAQEHUDKSSSR-UHFFFAOYSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCC1(C2)NOCO1)C)C
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.376g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.705g/mol
Monoisotopic Mass:
431.376g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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