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69226-86-4

69226-86-4 | Spiro[estrane-17,5'-oxazolidine](9CI)

CAS No: 69226-86-4 Catalog No: AG005WQ2 MDL No:

Product Description

Catalog Number:
AG005WQ2
Chemical Name:
Spiro[estrane-17,5'-oxazolidine](9CI)
CAS Number:
69226-86-4
Molecular Formula:
C20H33NO
Molecular Weight:
303.4821
IUPAC Name:
(8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-oxazolidine-5,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]
InChI:
InChI=1S/C20H33NO/c1-19-10-8-16-15-5-3-2-4-14(15)6-7-17(16)18(19)9-11-20(19)12-21-13-22-20/h14-18,21H,2-13H2,1H3/t14?,15-,16+,17+,18-,19-,20?/m0/s1
InChI Key:
OOJLLCBLFCRMTH-LHVXVHHKSA-N
SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC12CNCO1)CCC1[C@@H]3CCCC1

Properties

Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
303.256g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.49g/mol
Monoisotopic Mass:
303.256g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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