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Home > Other Heterocycles > 66173-06-6
66173-06-6 | Spiro[gonane-17,2'-oxirane](9CI)
CAS No: 66173-06-6 Catalog No: AG00H7DG MDL No:
Product Description
Catalog Number:
AG00H7DG
Chemical Name:
Spiro[gonane-17,2'-oxirane](9CI)
CAS Number:
66173-06-6
Molecular Formula:
C18H28O
Molecular Weight:
260.4143
IUPAC Name:
(8R,9R,10S,13S,14S)-spiro[1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]
InChI:
InChI=1S/C18H28O/c1-2-4-13-12(3-1)5-6-15-14(13)7-8-17-16(15)9-10-18(17)11-19-18/h12-17H,1-11H2/t12?,13-,14+,15+,16-,17-,18?/m0/s1
InChI Key:
CVKUFTHJZIMGOE-OJIMNTFYSA-N
SMILES:
C1CCC2[C@H](C1)[C@H]1CC[C@H]3[C@H]([C@@H]1CC2)CCC13CO1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
260.214g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.421g/mol
Monoisotopic Mass:
260.214g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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