CID 7002084
PubChem CID
7002084
Structure
Molecular Formula
Status
Non-live
Molecular Weight
290.4 g/mol
Dates
- Create:2006-07-29
Chemical Structure Depiction
(3R,5S,8S,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15-,16-,18+,19-/m0/s1
QGXBDMJGAMFCBF-KBDBIMKNSA-N
C[C@@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
C19H30O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
290.4 g/mol
Property Name
XLogP3
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
290.224580195 g/mol
Property Name
Monoisotopic Mass
Property Value
290.224580195 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
458
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
7
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
CONTENTS