Decarestrictin A1

CAT: 0013-GTR19265899-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19265899-01Size:10 mg

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Description

Decarestrictine A1 is a fungal metabolite found in Penicillium species.

CAS Number

127393-90-2

Field of Research

Metabolism Research

Molecular Formula

C10H14O4

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(1S,3R,7R,8Z,10R)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one

botryolide B has been reported in Penicillium simplicissimum with data available.

CAS Number	127393-90-2
PubChem CID	24853881
IUPAC Name	(1S,3R,7R,8Z,10R)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
Molecular Formula	C10H14O4
Molecular Weight	198.22
XLogP	0.1
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	261

SMILES

C[C@@H]1C[C@H]2[C@H](O2)/C=C\[C@@H](CC(=O)O1)O

InChI

InChI=1S/C10H14O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3/b3-2-/t6-,7+,8-,9+/m1/s1

InChIKey

JCWPVPJYCLLPQL-PHKLUEOISA-N

Chemical Structure

2D Structure

CAS: 127393-90-2

CID: 24853881

Formula: C10H14O4

MW: 198.22

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	198.22
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	198.08920892
Monoisotopic Mass	198.08920892
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes