Summary

Molecular formula: C17H16O8
SMILES: O=C1O[C@H]2[C@]3([C@@H]1O)COC(=O)[C@@]3(CC2)CC(=O)c1cc(O)ccc1O
InChI: InChI=1S/C17H16O8/c18-8-1-2-10(19)9(5-8)11(20)6-16-4-3-12-17(16,7-24-15(16)23)13(21)14(22)25-12/h1-2,5,12-13,18-19,21H,3-4,6-7H2/t12-,13-,16-,17+/m1/s1
InChIKey: BKXWDIMPBHNMLN-KFZJALRRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23COC(=O)C2(CC(=O)c2ccccc2)CCC3O1

Scaffold Graph/Node level:
OC1CC23COC(O)C2(CC(O)C2CCCCC2)CCC3O1

Scaffold Graph level:
CC1CC2CCC3(CC(C)C4CCCCC4)C(C)CCC23C1

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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:
(-)-applanatumol d

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External chemical identifiers:
CID_139587791; NPATLAS_NPA016876; CHEMSPIDER_78441416

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Chemical structure download