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Home > Other Heterocycles > 35471-60-4
35471-60-4 | Spiro[estrane-17,2'-oxirane](9CI)
CAS No: 35471-60-4 Catalog No: AG007BU8 MDL No:
Product Description
Catalog Number:
AG007BU8
Chemical Name:
Spiro[estrane-17,2'-oxirane](9CI)
CAS Number:
35471-60-4
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
(8R,9R,10S,13S,14S)-13-methylspiro[2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]
InChI:
InChI=1S/C19H30O/c1-18-10-8-15-14-5-3-2-4-13(14)6-7-16(15)17(18)9-11-19(18)12-20-19/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-,19?/m0/s1
InChI Key:
PQVZOKFEIFYLQR-SIOKIZADSA-N
SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC12OC1)CCC1[C@@H]3CCCC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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