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Home > Other Heterocycles > 147465-97-2
147465-97-2 | Spiro[oxirane-2,3'-spirostan] (9CI)
CAS No: 147465-97-2 Catalog No: AG001EX5 MDL No:
Product Description
Catalog Number:
AG001EX5
Chemical Name:
Spiro[oxirane-2,3'-spirostan] (9CI)
CAS Number:
147465-97-2
Molecular Formula:
C28H44O3
Molecular Weight:
428.6472
InChI:
InChI=1S/C28H44O3/c1-17-7-10-28(29-15-17)18(2)24-23(31-28)13-22-20-6-5-19-14-27(16-30-27)12-11-25(19,3)21(20)8-9-26(22,24)4/h17-24H,5-16H2,1-4H3/t17?,18-,19?,20+,21-,22-,23-,24-,25-,26-,27?,28+/m0/s1
InChI Key:
ONPMIOVTARKACS-FMEQKEHNSA-N
SMILES:
CC1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CCC3[C@]([C@H]1CC2)(C)CCC1(C3)OC1)C
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
428.329g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.657g/mol
Monoisotopic Mass:
428.329g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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