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Erythrartine

CAT: 0926-BCA66626-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BCA66626-01Size:1 mg
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CAS Number
51666-26-3
MDL Number
MFCD17214792
Smiles
COC1CC23C (=CCN2CC (C4=CC (=C (C=C34) OC) OC) O) C=C1
Molecular Formula
C19H23NO4
Molecular Weight
329.4 g/mol
Controlled
No

Chemical Information

Erythrartine

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

CAS Number51666-26-3
PubChem CID11336443
IUPAC Name(2R,9R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP1
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity547
SMILES
CO[C@@H]1C[C@@]23C(=CCN2C[C@@H](C4=CC(=C(C=C34)OC)OC)O)C=C1
InChI
InChI=1S/C19H23NO4/c1-22-13-5-4-12-6-7-20-11-16(21)14-8-17(23-2)18(24-3)9-15(14)19(12,20)10-13/h4-6,8-9,13,16,21H,7,10-11H2,1-3H3/t13-,16-,19-/m0/s1
InChIKey
QWWCVLZNFFVFTR-AXHNFQJDSA-N
Chemical Structure
2D Structure
2D structure of Erythrartine
CAS: 51666-26-3
CID: 11336443
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area51.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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