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CHEBI:43613 - (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid
| Formula | C25H30O3 |
| Net Charge | 0 |
| Average Mass | 378.512 |
| Monoisotopic Mass | 378.21949 |
| SMILES | [H]OC(=O)/C([H])=C(\[H])[C@@]1([H])O[C@@]2([H])C([H])=C([H])C([H])=C(c3c([H])c([H])c4c(c3[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C4(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C1([H])[H] |
| InChI | InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h5-11,14,17,19,22H,12-13,15H2,1-4H3,(H,26,27)/b11-9+/t17-,19-,22+/m1/s1 |
| InChIKey | WFLQBFXZEVUXMT-VBSDQIERSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid (CHEBI:43613) has functional parent acrylic acid (CHEBI:18308) |
| (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid (CHEBI:43613) is a 1-benzofurans (CHEBI:38830) |
| (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid (CHEBI:43613) is a naphthalenes (CHEBI:25477) |
| Synonyms | Source |
|---|---|
| (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | PDBeChem |
| (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| L79 | PDBeChem |