Glaziovine

CAT: 0926-FG171086-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-FG171086-01Size:1 mg

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CAS Number

17127-48-9

Smiles

CN1CCC2=CC (=C (C3=C2C1CC34C=CC (=O) C=C4) O) OC

Molecular Formula

C18H19NO3

Molecular Weight

297.35 g/mol

Controlled

Chemical Information

Glaziovine

Glaziovine has been reported in Annona cherimola and Litsea cubeba with data available.

CAS Number	17127-48-9
PubChem CID	65631
IUPAC Name	11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Molecular Formula	C18H19NO3
Molecular Weight	297.3
XLogP	2.2
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	524

SMILES

CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC

InChI

InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3

InChIKey

PNJUPRNTSWJWAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17127-48-9

CID: 65631

Formula: C18H19NO3

MW: 297.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.3
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	297.13649347
Monoisotopic Mass	297.13649347
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	524
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