Decarboxynimbic acid
Molecular Formula:
C25H29NaO6
InChI: InChI=1/C25H30O6.Na/c1-12-5-6-18(26)24(3)17(10-19(27)28)25(4)21-13(2)15(14-7-8-30-11-14)9-16(21)31-23(25)22(29)20(12)24;/h5,7-8,11,15-17,20,22-23,29H,6,9-10H2,1-4H3,(H,27,28);/q;+1/p-1/t15u,16-,17u,20+,22+,23+,24-,25+;/m0./s1/fC25H29O6.Na/q-1;m
InChIKey: InChIKey=HKAXPFKZOORAIU-KBZMMGEUDG
SMILES: CC1=CCC(=O)C2(C1C(C3C(C2CC(=O)[O-])(C4=C(C(CC4O3)C5=COC=C5)C)C)O)C.[Na+]
Names:
Decarboxynimbic acid
NSC92190
Registries:
PubChem CID 5459334
PubChem ID 8142573
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