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Record Information
Version2.0
Created at2022-09-06 22:26:45 UTC
Updated at2022-09-06 22:26:45 UTC
NP-MRD IDNP0238959
Secondary Accession NumbersNone
Natural Product Identification
Common Name1,12a-dimethyl 1',3',5',7,8,12-hexahydroxy-7'-methyl-4',9-dioxo-1',3',5,10,11,12-hexahydro-1h-spiro[cyclohepta[c]xanthene-4,2'-naphthalene]-1,12a-dicarboxylate
Description 1,12a-dimethyl 1',3',5',7,8,12-hexahydroxy-7'-methyl-4',9-dioxo-1',3',5,10,11,12-hexahydro-1h-spiro[cyclohepta[c]xanthene-4,2'-naphthalene]-1,12a-dicarboxylate is found in Cytospora eugeniae.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC32H30O13
Average Mass622.5790 Da
Monoisotopic Mass622.16864 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC(=O)C1C=CC2(CC3=CC(O)=C4C(O)=C5C(=O)CCC(O)C5(OC4=C13)C(=O)OC)C(O)C(=O)C1=C(O)C=C(C)C=C1C2O
InChI Identifier
InChI=1S/C32H30O13/c1-12-8-15-21(17(34)9-12)25(38)28(40)31(27(15)39)7-6-14(29(41)43-2)20-13(11-31)10-18(35)22-24(37)23-16(33)4-5-19(36)32(23,30(42)44-3)45-26(20)22/h6-10,14,19,27-28,34-37,39-40H,4-5,11H2,1-3H3
InChI KeyVNIZAJZTVLZYGC-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Cytospora eugeniaeLOTUS Database
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. LOTUS database [Link]