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Erysotramidine

CAT: 0926-CCA35858-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-CCA35858-01Size:1 mg
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CAS Number
52358-58-4
MDL Number
MFCD20260809
Smiles
COC1CC23C (=CC (=O) N2CCC4=CC (=C (C=C34) OC) OC) C=C1
Molecular Formula
C19H21NO4
Molecular Weight
327.4 g/mol
Controlled
No

Chemical Information

Erysotramidine

(9bS,11R)-7,8,11-trimethoxy-4H,5H,10H,11H-indolo[7a,1-a]isoquinolin-2-one has been reported in Erythrina leptorhiza, Erythrina oaxacana, and other organisms with data available.

CAS Number52358-58-4
PubChem CID11034782
IUPAC Name(2R,13bS)-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
Molecular FormulaC19H21NO4
Molecular Weight327.4
XLogP1.5
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity586
SMILES
CO[C@@H]1C[C@@]23C(=CC(=O)N2CCC4=CC(=C(C=C34)OC)OC)C=C1
InChI
InChI=1S/C19H21NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-5,8-10,14H,6-7,11H2,1-3H3/t14-,19-/m0/s1
InChIKey
AUDDBHVKKYSXKU-LIRRHRJNSA-N
Chemical Structure
2D Structure
2D structure of Erysotramidine
CAS: 52358-58-4
CID: 11034782
Formula: C19H21NO4
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass327.14705815
Monoisotopic Mass327.14705815
Topological Polar Surface Area48 Ų
Heavy Atom Count24
Formal Charge0
Complexity586
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
GTR19182157Erysotramidine

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