Daigremontianin
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Product Description
Product
Daigremontianin
CAS
98205-50-6
Formula
C26H30O9
Synonym
Typical Product Specifications
SMILES
C(\c1c(cccc1)S(=O)(=O)[O-])(c1ccc(N(Cc2cc(ccc2)S(=O)(=O)[O-])CC)cc1)=C1\C=C\C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])CC)C=C1.[NH4+].[NH4+]
InChI
HMEKVHWROSNWPD-UHFFFAOYSA-N
InChIKey
1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3
Class
Daigremontianin
Product Description
Product
Daigremontianin
CAS
98205-50-6
Formula
C26H30O9
Synonym
Typical Product Specifications
SMILES
C(\c1c(cccc1)S(=O)(=O)[O-])(c1ccc(N(Cc2cc(ccc2)S(=O)(=O)[O-])CC)cc1)=C1\C=C\C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])CC)C=C1.[NH4+].[NH4+]
InChI
HMEKVHWROSNWPD-UHFFFAOYSA-N
InChIKey
1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3
Class
