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14099-19-5 | Cyclopenta[a]fluoren-8(1H)-one, 2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydro-3-hydroxy-3a,5b-dimethyl-, (3S,3aS,5aS,5bR,10aR,10bS)-
CAS No: 14099-19-5 Catalog No: AG001FOZ MDL No:
Product Description
Catalog Number:
AG001FOZ
Chemical Name:
Cyclopenta[a]fluoren-8(1H)-one, 2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydro-3-hydroxy-3a,5b-dimethyl-, (3S,3aS,5aS,5bR,10aR,10bS)-
CAS Number:
14099-19-5
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
IUPAC Name:
(3S,3aS,5aS,5bR,10aR,10bS)-3-hydroxy-3a,5b-dimethyl-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-8-one
InChI:
InChI=1S/C18H26O2/c1-17-7-5-12(19)9-11(17)10-13-14-3-4-16(20)18(14,2)8-6-15(13)17/h9,13-16,20H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17-,18-/m0/s1
InChI Key:
XZRSOWHXIVVWJN-QQCJEOGWSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
NSC Number:
67834
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
274.193g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.404g/mol
Monoisotopic Mass:
274.193g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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