Summary

Molecular formula: C30H40O4
SMILES: O=C1C=CC2=CC3=C(CC[C@H]2C(O1)(C)C)[C@]1([C@@](CC3)(C)[C@H](CC1)[C@@H]([C@H]1CC=C(C(=O)O1)C)C)C
InChI: InChI=1S/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25+,29+,30-/m0/s1
InChIKey: VJNOAOVMGNCSPJ-ZCTPSQTASA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CC3=C(CCC2CO1)C1CCC(CC2CC=CC(=O)O2)C1CC3

Scaffold Graph/Node level:
OC1CCC2CC3CCC4C(CC5CCCC(O)O5)CCC4C3CCC2CO1

Scaffold Graph level:
CC1CCC2CCC3C(CCC4C(CC5CCCC(C)C5)CCC43)CC2CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Pyrans
Sub class: Pyranones and derivatives

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Synonymous chemical names:
schisanlactone a

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External chemical identifiers:
CID_44560613; NPATLAS_NPA017321; CHEMSPIDER_23328639; ZINC_ZINC000034809349

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Chemical structure download