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(-)-Corynantheidine

CAT: 0572-TRC-C685605-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C685605-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23407-35-4
Synonyms
(-)-Corynantheidine
Hazard Statement
No Data Available
Smiles
CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1\C(=C/OC)\C(=O)OC
Molecular Formula
C22 H28 N2 O3
Molecular Weight
368.469
InChI
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1
Additionnal Information
IUPAC name: methyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Shipping Conditions
Room Temperature

Chemical Information

Methyl (alphaE,2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)indolo(2,3-a)quinolizine-2-acetate

Corynantheidine is an alkaloid. It has a role as a metabolite.

CAS Number23407-35-4
PubChem CID3000341
IUPAC Namemethyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Molecular FormulaC22H28N2O3
Molecular Weight368.5
XLogP3.4
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity578
SMILES
CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=CC=CC=C34
InChI
InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1
InChIKey
NMLUOJBSAYAYEM-QALMDFCDSA-N
Chemical Structure
2D Structure
2D structure of Methyl (alphaE,2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)indolo(2,3-a)quinolizine-2-acetate
CAS: 23407-35-4
CID: 3000341
Formula: C22H28N2O3
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass368.20999276
Monoisotopic Mass368.20999276
Topological Polar Surface Area54.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-C685610-25MG(+)-Corynantheine

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