| 2D Structure | |
| CID | 11666871 |
| IUPAC Name | 4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| InChI | InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1 |
| InChI Key | WKKBRRFSRMDTJB-JYBIWHBTSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.4 |
| synonyms | ['andrograpanin', '82209-74-3', '3,14-Dideoxyandrographolide', '89M92UDM18', '4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one', '2(5H)-Furanone, 3-(2-((1R,4aS,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-', 'DTXSID901107773', '3-(2-((1R,4aS,5R,8aS)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-2(5H)-furanone', '3-[2-[(1R,4aS,5R,8aS)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone', '4-(2-((1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl)-2H-furan-5-one', 'DTXCID801539420', 'UNII-89M92UDM18', '19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE', '3-(2-((1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one', 'Andrograpanin (Standard)', 'CHEMBL518137', 'orb1298271', 'SCHEMBL25262416', 'HY-N9388R', 'Andrograpanin, analytical standard', 'HY-N9388', 'EX-A11141', 'AKOS040759736', 'AC-34911', 'MS-24705', 'CS-0159638', 'G13410', 'Q27270051', 'ANDROGRAPANIN (CONSTITUENT OF ANDROGRAPHIS) [DSC]'] |
From Pubchem