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Penicillide

CAT: 0013-GTR19191018-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191018-02Size:1 mg
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Description
Penicillide
CAS Number
55303-92-9
Field of Research
Metabolism Research
Smiles
COc1c (ccc2Oc3c (O) cc (C) cc3COC (=O) c12) [C@@H] (O) CC (C) C
Molecular Formula
C21H24O6
Molecular Weight
372.417
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vermixocin A

Vermixocin A has been reported in Talaromyces pinophilus, Penicillium simplicissimum, and other organisms with data available.

CAS Number55303-92-9
PubChem CID9842429
IUPAC Name6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Molecular FormulaC21H24O6
Molecular Weight372.4
XLogP3.7
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity509
SMILES
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2
InChI
InChI=1S/C21H24O6/c1-11(2)7-15(22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-8-12(3)9-16(23)19(13)27-17/h5-6,8-9,11,15,22-23H,7,10H2,1-4H3
InChIKey
UOWGLBYIKHMCIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vermixocin A
CAS: 55303-92-9
CID: 9842429
Formula: C21H24O6
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass372.15728848
Monoisotopic Mass372.15728848
Topological Polar Surface Area85.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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