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Viridicatumtoxin

CAT: 0607-BA1204-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1204-1Size:1 mg
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CAS Number
39277-41-3
Molecular Formula
C30H31NO10
Molecular Weight
565.57
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Viridicatumtoxin

Viridicatumtoxin is a tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. It has a role as an antimicrobial agent, an antineoplastic agent, a fungal metabolite and an EC 2.5.1.31 {ditrans,polycis-undecaprenyl-diphosphate synthase [(2E,6E)-farnesyl-diphosphate specific]} inhibitor. It is a tertiary alpha-hydroxy ketone, a primary carboxamide, a polyketide, a polyphenol, a tertiary alcohol, a spiro compound, an enol, an aromatic ether, a secondary alcohol, a cyclic ketone, an enone, an enamide, an organic polycyclic compound and an aromatic ketone.

CAS Number39277-41-3
PubChem CID54686377
IUPAC Name(3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide
Molecular FormulaC30H31NO10
Molecular Weight565.6
XLogP2.3
Topological Polar Surface Area208
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count41
Formal Charge0
Complexity1290
SMILES
CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C
InChI
InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1
InChIKey
FNSQKFOXORBCCC-WBWZXODPSA-N
Chemical Structure
2D Structure
2D structure of Viridicatumtoxin
CAS: 39277-41-3
CID: 54686377
Formula: C30H31NO10
MW: 565.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.6
XLogP32.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass565.19479619
Monoisotopic Mass565.19479619
Topological Polar Surface Area208 Ų
Heavy Atom Count41
Formal Charge0
Complexity1290
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

Alternative Products

CatalogName
B1976-1Viridicatumtoxin

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