Summary

Molecular formula: C20H28O4
SMILES: OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C
InChI: InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
InChIKey: XMJAJFVLHDIEHF-CRBRZBHVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1C=CC1=CCOC1=O

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1CCC1CCOC1O

Scaffold Graph level:
CC1CCCC1CCC1C(C)CCC2CCCCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Terpene lactones

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Synonymous chemical names:
14-deoxy-11,12-didehydroandrographolide

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External chemical identifiers:
CID_5708351; CAS_42895-58-9; NPATLAS_NPA003129; CHEMSPIDER_4647111; ZINC_ZINC000003882527; Molport_MolPort-001-741-142

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Chemical structure download