Summary

Molecular formula: C32H30O12
SMILES: O=CC1=CC2CC(C(C(C1)(C2)C1CCC(C21Oc1c(C2=O)cc(cc1)O)C(=O)O)O)(CC(=O)c1cc(O)ccc1O)C(=O)O
InChI: InChI=1S/C32H30O12/c33-14-16-7-15-10-30(12-16,28(41)31(11-15,29(42)43)13-23(37)19-8-17(34)1-4-22(19)36)25-6-3-21(27(39)40)32(25)26(38)20-9-18(35)2-5-24(20)44-32/h1-2,4-5,7-9,14-15,21,25,28,34-36,41H,3,6,10-13H2,(H,39,40)(H,42,43)
InChIKey: FJKXTYHCAANBDR-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CC2C=CCC(C3CCCC34Oc3ccccc3C4=O)(C2)C1)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CC2CCCC(C3CCCC34OC3CCCCC3C4O)(C2)C1)C1CCCCC1

Scaffold Graph level:
CC(CC1CC2CCCC(C3CCCC34CC3CCCCC3C4C)(C2)C1)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
applanatumin a

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External chemical identifiers:
CID_139586449; NPATLAS_NPA012019; CHEMSPIDER_34947476

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Chemical structure download