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Ramulosin

CAT: 0931-TN10336-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10336-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29914-01-0
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Ramulosin exhibits antifungal properties and is capable of inhibiting the germination of fungal conidia.
Smiles
O=C1C=2[C@](C[C@@H](C)O1)(CCCC2O)[H]
Molecular Formula
C10H14O3
Molecular Weight
182.216
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ramulosin

Ramulosin is a benzopyran.

CAS Number29914-01-0
PubChem CID54686269
IUPAC Name(3R,4aS)-8-hydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity267
SMILES
C[C@@H]1C[C@@H]2CCCC(=C2C(=O)O1)O
InChI
InChI=1S/C10H14O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-7,11H,2-5H2,1H3/t6-,7+/m1/s1
InChIKey
XQHOYOKXFNTNQZ-RQJHMYQMSA-N
Chemical Structure
2D Structure
2D structure of Ramulosin
CAS: 29914-01-0
CID: 54686269
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes