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Byssochlamic Acid

CAT: 0931-T85033-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85033-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
743-51-1
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Bioactivity
Byssochlamic acid, a mycotoxin identified in the agricultural fungal pathogen B. fulva, exhibits lethality in mice with an LD50 of 94 mg/kg.
Smiles
C(CC)[C@@H]1C2=C(C[C@H](CC)CC3=C(C1)C(=O)OC3=O)C(=O)OC2=O
Molecular Formula
C18H20O6
Molecular Weight
332.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone

LSM-2963 is an organooxygen compound. It is functionally related to a tetracarboxylic acid.

CAS Number743-51-1
PubChem CID164723
IUPAC Name(2S,10R)-10-ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Molecular FormulaC18H20O6
Molecular Weight332.3
XLogP3.1
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity696
SMILES
CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O
InChI
InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKey
NRDWUPPIGBHWAS-ZJUUUORDSA-N
Chemical Structure
2D Structure
2D structure of (4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CAS: 743-51-1
CID: 164723
Formula: C18H20O6
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass332.12598835
Monoisotopic Mass332.12598835
Topological Polar Surface Area86.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity696
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

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