CID 74933758
PubChem CID
74933758
Structure
Molecular Formula
Status
Non-live
Molecular Weight
402.7 g/mol
Dates
- Create:2014-07-01
Chemical Structure Depiction
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,23-25,28-29H,6-16H2,1-5H3
VEMUQVCEZWKJCR-UHFFFAOYSA-N
CC(C)CCCC(C)C1CC(C2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C)O
C27H46O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
402.7 g/mol
Property Name
XLogP3-AA
Property Value
6.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
402.349780706 g/mol
Property Name
Monoisotopic Mass
Property Value
402.349780706 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.5 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
636
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
8
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
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CONTENTS