Gymnoascolide A

CAT: 0926-QJB09205-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-QJB09205-01Size:1 mg

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CAS Number

865092-05-3

Smiles

C1C (=C (C (=O) O1) C2=CC=CC=C2) CC3=CC=CC=C3

Molecular Formula

C17H14O2

Molecular Weight

250.29 g/mol

Controlled

Chemical Information

Gymnoascolide A

Gymnoascol is a butenolide.

CAS Number	865092-05-3
PubChem CID	11593998
IUPAC Name	3-benzyl-4-phenyl-2H-furan-5-one
Molecular Formula	C17H14O2
Molecular Weight	250.29
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	357

SMILES

C1C(=C(C(=O)O1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H14O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChIKey

RTTHRDSFKNSBAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 865092-05-3

CID: 11593998

Formula: C17H14O2

MW: 250.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.29
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	250.099379685
Monoisotopic Mass	250.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
GTR19240660-01	Gymnoascolide A