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Radulone A

CAT: 0013-GTR19236192-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236192-02Size:50 mg
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Description
Radulone A is a fungal secondary metabolite isolated from Granulobasidium vellereum. It acts as a spore germination inhibitor against wood-decay fungi such as Phlebiopsis gigantea, Coniophora puteana, and Heterobasidion occidentale, making it a candidate for in vitro studies in forestry and antifungal research.
CAS Number
221374-79-4
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12[C@]34C (=C[C@] (C) ([C@@H]3O) CO4) C (=O) C (C) =C1CC2
Molecular Formula
C15H18O3
Molecular Weight
246.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Radulone A
CAS Number221374-79-4
PubChem CID10354556
IUPAC Name(1S,2S,10S,13S)-13-hydroxy-2,6,10-trimethyl-12-oxatetracyclo[8.2.1.01,8.02,5]trideca-5,8-dien-7-one
Molecular FormulaC15H18O3
Molecular Weight246.30
XLogP0.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity558
SMILES
CC1=C2CC[C@@]2([C@]34[C@H]([C@](CO3)(C=C4C1=O)C)O)C
InChI
InChI=1S/C15H18O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h6,12,17H,4-5,7H2,1-3H3/t12-,13-,14-,15-/m0/s1
InChIKey
CKIYXOQTOZHRAN-AJNGGQMLSA-N
Chemical Structure
2D Structure
2D structure of Radulone A
CAS: 221374-79-4
CID: 10354556
Formula: C15H18O3
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass246.125594432
Monoisotopic Mass246.125594432
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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