| SpectraBase Compound ID | 1XKB2k2bGcY |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h12-14,17H,6-11H2,1-5H3,(H,22,23)/t13?,14-,17-,19+,20+/m1/s1 |
| InChIKey | OACSWPFHEOKUGW-JNSXJZLISA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Byl1ggD1ifT |
|---|---|
| Name | Dunniana acid B |
| Alternate Name(s) | 4,5,8,9-Tetramethyl-2-formyl-[3'-methyl-4'-(hydroxycarbonyl)buty]-bicyclo[4.3.0]non-2-ene 5-[(3aR,6R,7S,7aR)-2-formyl-3,3a,6,7-tetramethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-7-yl]-3-methylpentanoic acid 5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylpentanoic acid 5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methyl-pentanoic acid 5-[(3aR,4S,5R,7aR)-2-methanoyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methyl-pentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h12-14,17H,6-11H2,1-5H3,(H,22,23)/t13?,14-,17-,19+,20+/m1/s1 |
| InChIKey | OACSWPFHEOKUGW-JNSXJZLISA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | OC(CC(CC[C@@]1([C@@]2([C@](C(=C(C=O)C2)C)(CC[C@]1(C)[H])C)[H])C)C)=O |
| SPLASH | splash10-0a4i-6932000000-eaf0f7e590a8ec738761 |
| Source of Spectrum | G4-65-394-2 |
| Wiley ID | 1639358 |