| 2D Structure | |
| CID | 73401 |
| IUPAC Name | (1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one |
| InChI | InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 |
| InChI Key | HQLLRHCTVDVUJB-OBHOOXMTSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.4 |
| synonyms | ['Marrubiin', '465-92-9', 'DTXSID50963595', 'AP086P88M4', 'NSC-36693', '(1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one', '(1R,4S,8S,9R,10R,12R)-9-(2-(furan-3-yl)ethyl)-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo(6.3.1.04,12)dodecan-3-one', 'RefChem:810635', 'DTXCID501764789', 'MFCD08461003', 'MARRUBIN', 'NSC36693', 'MLS000738128', 'UNII-AP086P88M4', 'Marrubiin CRS', 'NSC 36693', 'Marrubiin (Standard)', 'MARRUBIIN [MI]', 'Marrubiin (Marrubium bitter).', 'CHEBI:6696', 'SCHEMBL2784576', 'CHEMBL1999372', 'HY-N6995R', 'HY-N6995', 'AKOS040760545', 'ND-1214', 'XM36381', 'DA-75323', 'MS-25009', '2-(3-furyl)ethyl-hydroxy-trimethyl-[?]one', 'CS-0101468', 'NS00093865', 'C09128', 'G13500', 'AO-222/41148796', 'Q11770828', '8.beta.H-Labda-13(16), 15,16-epoxy-6.beta.,9-dihydroxy-, .gamma.-lactone', '(1R,4S,8S,9R,10R,12R)-9-[2-(3-furyl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one', '(2AS,5AS,6R,7R,8AR,8BR)-6-(2-(3-FURANYL)ETHYL)DECAHYDRO-6-HYDROXY-2A,5A,7-TRIMETHYL-2H-NAPHTHO(1,8-BC)FURAN-2-ONE', '(2aS,5aS,6R,7R,8aR,8bR)-6-[2-(Furan-3-yl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one', '2H-Naphtho(1,8-bc)furan-2-one, 6-(2-(3-furanyl)ethyl)decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS-(2aalpha,5abeta,6alpha,7alpha,8aalpha,8balpha))-', '2H-Naphtho[1, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, [2aS-(2a.alpha.,5a.beta.,6.alpha.,7.alpha.,8a.alpha.,8b.alpha.)]-', '2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7R,8aR,8bR)-'] |
From Pubchem