11-Methoxyuncarine C

CAT: 0926-LCA66508-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-LCA66508-01Size:5 mg

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CAS Number

61665-08-5

MDL Number

MFCD20274567

Smiles

CC1C2CN3CCC4 (C3CC2C (=CO1) C (=O) OC) C5=C (C=C (C=C5) OC) NC4=O

Molecular Formula

C22H26N2O5

Molecular Weight

398.5 g/mol

Controlled

Chemical Information

11-Methoxyuncarine C

CAS Number	61665-08-5
PubChem CID	614121
IUPAC Name	methyl 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 Formula	C22H26N2O5
Molecular Weight	398.5
XLogP	1.6
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	739

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

CAS: 61665-08-5

CID: 614121

Formula: C22H26N2O5

MW: 398.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	398.18417193
Monoisotopic Mass	398.18417193
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	739
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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11-Methoxyuncarine C

Chemical Information

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