Delta(4)-dafachronic acid
chemical compound
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Delta(4)-dafachronic acid
Summary
Delta(4)-dafachronic acid is a group of stereoisomers[1].
Key Facts
- Delta(4)-dafachronic acid's instance of is recorded as group of stereoisomers[2].
- Delta(4)-dafachronic acid's chemical structure is recorded as Δ4-Dafachronic acid.svg[3].
- Delta(4)-dafachronic acid's canonical SMILES is recorded as CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C[4].
- Delta(4)-dafachronic acid's InChI is recorded as InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1[5].
- Delta(4)-dafachronic acid's InChIKey is recorded as PSXQJZDFWDKBIP-NNWQCNCGSA-N[6].
- Delta(4)-dafachronic acid's chemical formula is recorded as C₂₇H₄₂O₃[7].
- Delta(4)-dafachronic acid's subclass of is recorded as dafachronic acid[8].
- Delta(4)-dafachronic acid's ChemSpider ID is recorded as 20045556[9].
- Delta(4)-dafachronic acid's PubChem CID is recorded as 22216313[10].
- Delta(4)-dafachronic acid's ChEBI ID is recorded as 78686[11].
- Delta(4)-dafachronic acid's Reaxys registry number is recorded as 6347697[12].
- Delta(4)-dafachronic acid's isomeric SMILES is recorded as CC@H[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CC@H[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C">[13].
- Delta(4)-dafachronic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+414.313'}[14].
- Delta(4)-dafachronic acid's SureChEMBL ID is recorded as 1176929[15].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010701[16].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010702[17].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010703[18].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010711[19].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010712[20].
- Delta(4)-dafachronic acid's MassBank accession ID is recorded as MSBNK-BGC_Munich-RP010713[21].
- Delta(4)-dafachronic acid's UniChem compound ID is recorded as 30831057[22].
- Delta(4)-dafachronic acid's Probes And Drugs ID is recorded as PD019086[23].