Salpriolactone

CAT: 0926-HFA27872-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-HFA27872-02Size:25 mg

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CAS Number

132278-72-9

Smiles

CC1=C2C3=C (C (=C (C=C3C=C1) C (C) C) O) OC2=O

Molecular Formula

C15H14O3

Molecular Weight

242.27 g/mol

Controlled

Chemical Information

Salpriolactone

Salpriolactone has been reported in Salvia prionitis with data available.

CAS Number	132278-72-9
PubChem CID	15627936
IUPAC Name	11-hydroxy-5-methyl-10-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
Molecular Formula	C15H14O3
Molecular Weight	242.27
XLogP	3.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	352

SMILES

CC1=C2C3=C(C(=C(C=C3C=C1)C(C)C)O)OC2=O

InChI

InChI=1S/C15H14O3/c1-7(2)10-6-9-5-4-8(3)11-12(9)14(13(10)16)18-15(11)17/h4-7,16H,1-3H3

InChIKey

CHCQNBTYGKQUQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132278-72-9

CID: 15627936

Formula: C15H14O3

MW: 242.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.27
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	242.094294304
Monoisotopic Mass	242.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	352
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
MBS5791507	Salpriolactone