CID 7003541
PubChem CID
7003541
Structure
Molecular Formula
Status
Non-live
Molecular Weight
374.5 g/mol
Dates
- Create:2006-07-29
Chemical Structure Depiction
[(3R,8R,9R,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17-,18+,19+,20-,21+,22-,23+/m1/s1
QXKRUGDXPWHXHL-OZIBOATISA-N
CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4OC(=O)C)C)C
C23H34O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
374.5 g/mol
Property Name
XLogP3
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
374.24570956 g/mol
Property Name
Monoisotopic Mass
Property Value
374.24570956 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.6 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
667
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