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Cladospirone bisepoxide

CAT: 0862-GA3225-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GA3225-5mgSize:5 mg
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CAS Number
152607-03-9
Molecular Formula
C20H14O7
Molecular Weight
366.3
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

(1'S,2'S,3'R,5'R,7'R,11'S)-2',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-8'-one

Sch53514 is a member of naphthalenes.

CAS Number152607-03-9
PubChem CID10316810
IUPAC Name(1'S,2'S,3'R,5'R,7'R,11'S)-2',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-8'-one
Molecular FormulaC20H14O7
Molecular Weight366.3
XLogP0.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity745
SMILES
C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@@H]([C@@]67[C@@]4(O6)C(=O)C=C[C@@H]7O)O)OC3=CC=C2
InChI
InChI=1S/C20H14O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-8,12,15-17,21,23H/t12-,15+,16-,17+,18-,19-/m0/s1
InChIKey
AUWGMDYISSBOED-CCNMWVGKSA-N
Chemical Structure
2D Structure
2D structure of (1'S,2'S,3'R,5'R,7'R,11'S)-2',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-8'-one
CAS: 152607-03-9
CID: 10316810
Formula: C20H14O7
MW: 366.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.3
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass366.07395278
Monoisotopic Mass366.07395278
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T73797-01Cladospirone bisepoxide
207125Cladospirone Bisepoxide (Palmarumycin C13, Diepoxin zeta, Antibiotic Sch53514)
GTR19277996-01Cladospirone B

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