Visnadine (Cardine)

CAT: 1596-AR-V06735-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06735-01Size:10 Units

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CAS Number

477-32-7

Molecular Formula

C21H24O7

Molecular Weight

388.42

API Name

Visnadine

Chemical Information

Visnadine

Visnadin is a member of coumarins.

CAS Number	477-32-7
PubChem CID	442151
IUPAC Name	[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate
Molecular Formula	C21H24O7
Molecular Weight	388.4
XLogP	3.4
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	668

SMILES

CC[C@@H](C)C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C

InChI

InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1

InChIKey

GVBNSPFBYXGREE-CXWAGAITSA-N

Chemical Structure

2D Structure

CAS: 477-32-7

CID: 442151

Formula: C21H24O7

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	388.15220310
Monoisotopic Mass	388.15220310
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-I01479-01	Indigo Carmine
AR-C01578-01	Carvone
AR-I03537-01	N-Nitroso Indigo Carmine
AR-I03057-01	N-Nitroso Indigo Carmine
AR-C01580-01	(S) - (+) -Carvone
AR-C01579-01	(R) - (-) -Carvone
AR-I01480-01	Indigo Carmine Related Compound 1
AR-I03538-01	N-di-Nitroso Indigo Carmine
AR-I01481-01	Indigo Carmine Related Compound 2
AR-T06223-01	3-Carene

Catalog	Name
FV46667	Visnadine
M32369-01	Cardine