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11-Methoxyuncarine C

CAT: 0013-GTR19229121-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229121-01Size:1 mg
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Description
11-Methoxyuncarine C is a natural product alkaloid used as a research tool in life sciences. It is applied in both in vitro and in vivo studies to investigate biological activities, including potential anti-inflammatory and neuropharmacological effects, based on published scientific literature.
CAS Number
61665-08-5
Smiles
O=C1[C@@]2 ([C@]3 (N (CC2) C[C@@]4 ([C@] (C3) (C (C (OC) =O) =CO[C@H]4C) [H]) [H]) [H]) C=5C (N1) =CC (OC) =CC5
Molecular Formula
C22H26N2O5
Molecular Weight
398.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11-Methoxyuncarine C
CAS Number61665-08-5
PubChem CID614121
IUPAC Namemethyl 6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Molecular FormulaC22H26N2O5
Molecular Weight398.5
XLogP1.6
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity739
SMILES
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O
InChI
InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)
InChIKey
SRKHGHLMEDVZRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11-Methoxyuncarine C
CAS: 61665-08-5
CID: 614121
Formula: C22H26N2O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass398.18417193
Monoisotopic Mass398.18417193
Topological Polar Surface Area77.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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