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75347-04-5 | Spiro[estra-1,3,5,7,9-pentaene-17,2'-oxiran]-3-ol,(17b)- (9CI)
CAS No: 75347-04-5 Catalog No: AG005Y0U MDL No:
Product Description
Catalog Number:
AG005Y0U
Chemical Name:
Spiro[estra-1,3,5,7,9-pentaene-17,2'-oxiran]-3-ol,(17b)- (9CI)
CAS Number:
75347-04-5
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
(13S,14S)-13-methylspiro[12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
InChI:
InChI=1S/C19H20O2/c1-18-8-6-15-14-5-3-13(20)10-12(14)2-4-16(15)17(18)7-9-19(18)11-21-19/h2-5,10,17,20H,6-9,11H2,1H3/t17-,18-,19?/m0/s1
InChI Key:
ARAKCKMBMIAPLA-ADUPEVMXSA-N
SMILES:
Oc1ccc2c(c1)ccc1c2CC[C@]2([C@H]1CCC12CO1)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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