Products for Research Use Only
RegisterLogin

Adiantifoline

CAT: 0013-GTR19200588-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19200588-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Adiantifoline
CAS Number
20823-96-5
Smiles
O (C) C1=C2C3=C (C (OC) =C1OC) CCN (C) [C@]3 (CC=4C2=CC (OC) =C (OC5=C (C[C@H]6C=7C (=CC (OC) =C (OC) C7) CCN6C) C=C (OC) C (OC) =C5) C4) [H]
Molecular Formula
C42H50N2O9
Molecular Weight
726.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adiantifoline

Adiantifoline is a bisbenzylisoquinoline alkaloid and an aporphine alkaloid.

CAS Number20823-96-5
PubChem CID167937
IUPAC Name(6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Molecular FormulaC42H50N2O9
Molecular Weight726.9
XLogP6.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count53
Formal Charge0
Complexity1170
SMILES
CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC
InChI
InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1
InChIKey
UEKRHVIBSZVFQN-KYJUHHDHSA-N
Chemical Structure
2D Structure
2D structure of Adiantifoline
CAS: 20823-96-5
CID: 167937
Formula: C42H50N2O9
MW: 726.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight726.9
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass726.35163118
Monoisotopic Mass726.35163118
Topological Polar Surface Area89.6 Ų
Heavy Atom Count53
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T23637-01Adiantifoline

Popular Products