Hypecorinine

CAT: 0926-RBA78757-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-RBA78757-01Size:10 mg

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CAS Number

41787-57-9

MDL Number

MFCD21333754

Smiles

C1=CC=C2C (=C1) C=C (C=C2F) [N+] (=O) [O-]

Molecular Formula

C20H17NO6

Molecular Weight

367.40 g/mol

Controlled

Chemical Information

Hypecorinine

Hypecorinine has been reported in Hypecoum erectum with data available.

CAS Number	41787-57-9
PubChem CID	13997263
IUPAC Name	6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one
Molecular Formula	C20H17NO6
Molecular Weight	367.4
XLogP	2.5
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	630

SMILES

CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3

InChI

InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3

InChIKey

DFLLMUXSZJESOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41787-57-9

CID: 13997263

Formula: C20H17NO6

MW: 367.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.4
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	367.10558726
Monoisotopic Mass	367.10558726
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19228849-01	Hypecorinine