| 2D Structure | |
| CID | 9848024 |
| IUPAC Name | 4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| InChI | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 |
| InChI Key | YGCYRQKJYWQXHG-RDNQFMDVSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C26H40O8 |
| Molecular Weight | 480.6 |
| synonyms | ['Neoandrographolide', '27215-14-1', 'Neoandrographiside', '(-)-neoandrographolide', 'XBY0Z806J2', 'DTXSID80904895', '2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,8aalpha))-', '4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one', '4-(2-((1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl)-2H-furan-5-one', 'DTXCID001334004', '2(5H)-Furanone, 3-(2-((1R,4aS,5R,8aS)-5-((beta-D-glucopyranosyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-', 'MFCD07779130', '3-(2-((1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)decahydronaphthalen-1-yl)ethyl)furan-2(5H)-one', 'C26H40O8', 'UNII-XBY0Z806J2', 'Neoandrographolide (Standard)', 'CHEMBL480853', 'MEGxp0_000981', 'orb1303611', 'SCHEMBL2225354', 'ACon1_000667', 'HY-N0721R', 'CHEBI:228890', 'HY-N0721', 'MSK157228', 's9157', 'AKOS030526126', 'Neoandrographolide, analytical standard', 'CCG-269552', 'CS-3656', 'MN11576', 'NCGC00169477-01', 'NCGC00169477-02', '3-[2-[(1R,4a,4aS,5R,8aS)-5-[(b-D-Glucopyranosyloxy)methyl]decanhydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone', 'AS-56986', 'DA-56094', '1ST157228', 'BRD-K66516195-001-01-4', 'Q27293767', 'NEOANDROGRAPHOLIDE (CONSTITUENT OF ANDROGRAPHIS) [DSC]', '2(5H)-FURANONE, 3-(2-((1R,4AS,5R,8AS)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-', '2(5H)-FURANONE, 3-(2-(5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-, (1R-(1.ALPHA.,4A.BETA.,5.ALPHA.,8A.ALPHA.))-', '4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]decalin-1-yl]ethyl]-2H-furan-5-one', '4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one', '5.BETA.,9.BETA.H,10.ALPHA.-LABDA-8(20),13-DIEN-16-OIC ACID, 18-(GLUCOSYLOXY)-15-HYDROXY-, .GAMMA.-LACTONE'] |
From Pubchem