CID 42066830
PubChem CID
42066830
Structure
Molecular Formula
Status
Non-live
Molecular Weight
356.5 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(8R,9R,13R,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19+,20-,21-,23+/m0/s1
RSEPBGGWRJCQGY-DXGJXXFVSA-N
CCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(CC[C@@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
C23H32O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
356.5 g/mol
Property Name
XLogP3
Property Value
6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
356.23514488 g/mol
Property Name
Monoisotopic Mass
Property Value
356.23514488 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.5 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
518
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
5
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
Old substance
Old substance
CONTENTS