Tingitanol
group of stereoisomers with the chemical formula C₂₅H₃₈O₆
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Tingitanol
Summary
Tingitanol is a group of stereoisomers[1].
Key Facts
- Tingitanol's instance of is recorded as group of stereoisomers[2].
- Tingitanol's CAS Registry Number is recorded as 95342-43-1[3].
- Tingitanol's canonical SMILES is recorded as O=C(OC1C=C(C)CC(OC(=O)C(=CC)C)C2C(O)(CC(O)C12C)C(C)C)C(=CC)C[4].
- Tingitanol's InChI is recorded as InChI=1S/C25H38O6/c1-9-16(6)22(27)30-18-11-15(5)12-20(31-23(28)17(7)10-2)24(8)19(26)13-25(29,14(3)4)21(18)24/h9-10,12,14,18-21,26,29H,11,13H2,1-8H3/b16-9-,17-10-/t18?,19-,20?,21?,24-,25-/m1/s1[5].
- Tingitanol's InChIKey is recorded as AINRTNFDFBTYDD-AEPNLQRKSA-N[6].
- Tingitanol's chemical formula is recorded as C₂₅H₃₈O₆[7].
- Tingitanol's subclass of is recorded as daucane sesquiterpenoid[8].
- Tingitanol's PubChem CID is recorded as 54612525[9].
- Tingitanol's found in taxon is recorded as Ferula tingitana[10].
- Tingitanol's isomeric SMILES is recorded as C/C=C(/C)C(=O)OC1CC(C)=CC(OC(=O)/C(C)=C\C)[C@]2(C)C1C@(C(C)C)C[C@H]2OC@(C(C)C)C[C@H]2O">[11].
- Tingitanol's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+434.26683893599994'}[12].
- Tingitanol's NSC number is recorded as 606934[13].
- Tingitanol's DSSTox substance ID is recorded as DTXSID50715576[14].
- Tingitanol's DSSTOX compound identifier is recorded as DTXCID00666322[15].
- Tingitanol's UniChem compound ID is recorded as 64141812[16].