CID 44361981
PubChem CID
44361981
Structure
Molecular Formula
Status
Non-live
Molecular Weight
276.5 g/mol
Dates
- Create:2009-11-19
Chemical Structure Depiction
(3R,5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15?,16?,17?,18?,19?/m1/s1
DJTOLSNIKJIDFF-HNCIZDERSA-N
CC12CCCC1C3CC[C@@H]4C[C@@H](CCC4(C3CC2)C)O
C19H32O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.5 g/mol
Property Name
XLogP3-AA
Property Value
5.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
276.245315640 g/mol
Property Name
Monoisotopic Mass
Property Value
276.245315640 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
391
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
5
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
Old substance
Old substance
CONTENTS