Summary

Molecular formula: C20H30O8
SMILES: O=C1O[C@H]2[C@@H]([C@H]1C)CC[C@](C)(O)[C@H](O)[C@@H]1[C@H](CC[C@]([C@@H]2O)(C)O)C(=C)C(=O)O1
InChI: InChI=1S/C20H30O8/c1-9-11-5-7-19(3,25)16(22)14-12(10(2)18(24)28-14)6-8-20(4,26)15(21)13(11)27-17(9)23/h10-16,21-22,25-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15-,16-,19+,20+/m1/s1
InChIKey: GHZVTIKGATYJRL-WZRMTEHQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CCCCC3CC(=O)OC3CCCCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCC3CC(O)OC3CCCCC21

Scaffold Graph level:
CC1CC2CCCCC3CC(C)C(C)C3CCCCC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Macrolides and analogues

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Synonymous chemical names:
eryngiolide a

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External chemical identifiers:
CID_60200847; NPATLAS_NPA008879; CHEMSPIDER_78441057; ZINC_ZINC000202197636

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Chemical structure download