Summary

Molecular formula: C21H26O5
SMILES: Oc1ccc(c(c1)C(=O)C[C@]12CC[C@@H]3[C@](C1)(OC2=O)CCCC3(C)C)O
InChI: InChI=1S/C21H26O5/c1-19(2)7-3-8-21-12-20(18(25)26-21,9-6-17(19)21)11-16(24)14-10-13(22)4-5-15(14)23/h4-5,10,17,22-23H,3,6-9,11-12H2,1-2H3/t17-,20+,21-/m0/s1
InChIKey: FXMUSHRKJDUFQJ-WMQCIHAUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC12CCC3CCCCC3(C1)OC2=O)c1ccccc1

Scaffold Graph/Node level:
OC(CC12CCC3CCCCC3(C1)OC2O)C1CCCCC1

Scaffold Graph level:
CC(CC12CCC3CCCCC3(CC1C)C2)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:
(+)-cochlactone a

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External chemical identifiers:
CID_139591442; NPATLAS_NPA024292; CHEMSPIDER_78441840

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Chemical structure download