Acremonol

CAT: 0013-GTR19255528-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255528-01Size:50 mg

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Description

Acremonol exhibits activity against Gram-positive bacteria and fungi.

CAS Number

470665-94-2

Field of Research

Infectious Disease & Virology

Smiles

C[C@@H]1C (=O) /C=C/C (=O) OC[C@@H] (C) C[C@@H] (O) \C=C\C (=O) O1

Molecular Formula

C14H18O6

Molecular Weight

282.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(3E,6R,9E,11R,13S)-11-hydroxy-6,13-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione

CAS Number	470665-94-2
PubChem CID	177822943
IUPAC Name	(3E,6R,9E,11R,13S)-11-hydroxy-6,13-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
Molecular Formula	C14H18O6
Molecular Weight	282.29
XLogP	1.1
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	437

SMILES

C[C@H]1C[C@H](/C=C/C(=O)O[C@@H](C(=O)/C=C/C(=O)OC1)C)O

InChI

InChI=1S/C14H18O6/c1-9-7-11(15)3-5-14(18)20-10(2)12(16)4-6-13(17)19-8-9/h3-6,9-11,15H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+,11-/m0/s1

InChIKey

QFSRKPJRDAADIK-IWQYCLKNSA-N

Chemical Structure

2D Structure

CAS: 470665-94-2

CID: 177822943

Formula: C14H18O6

MW: 282.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.29
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	282.11033829
Monoisotopic Mass	282.11033829
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TN10839-01	Acremonol