| 2D Structure | |
| CID | 92785 |
| Target | / |
| IUPAC Name | (4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one |
| InChI | InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1 |
| InChI Key | DBCAVZSSFGIHQZ-YLAYQGCQSA-N |
| Canonical SMILES | CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C |
| Isomeric SMILES | C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C |
| Molecular Formula | C30H48O |
| Molecular Weight | 424.7 |
| synonyms | ['Taraxerone', '514-07-8', 'D-Friedoolean-14-en-3-one', 'Taraxeron', 'UNII-VC7U2M012Z', 'VC7U2M012Z', 'Taraxer-14-en-3-one', 'TARAXER-3-ONE', 'Skimmione', '3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-, (4AR,6AR,8AR,12AR,12BS,14AR,14BR)-', 'delta14-TARAXEN-3-ONE', '27-NOROLEAN-14-EN-3-ONE, 13-METHYL-, (13alpha)-', '3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-, (4AR-(4Aalpha,6Abeta,8Abeta,12Abeta,12Balpha,14Aalpha,14Bbeta))-', 'CHEMBL519077', '(4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one', 'CHEBI:67826', 'SCHEMBL3155249', 'DTXSID60965707', '.DELTA.14-TARAXEN-3-ONE', 'HY-N1177', 'BDBM50275506', 'AKOS037515402', 'FT65698', 'DA-67932', 'MS-27476', 'CS-0016468', 'Q27136302', '27-NOROLEAN-14-EN-3-ONE, 13-METHYL-, (13.ALPHA.)-', '3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-, (4AR-(4A.ALPHA.,6A.BETA.,8A.BETA.,12A.BETA.,12B.ALPHA.,14A.ALPHA.,14B.BETA.))-', '4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicen-3(2H)-one'] |
From Pubchem