spiranine
chemical compound
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spiranine
Summary
spiranine is a group of stereoisomers[1].
Key Facts
- spiranine's instance of is recorded as group of stereoisomers[2].
- spiranine's CAS Registry Number is recorded as 77156-23-1[3].
- spiranine's canonical SMILES is recorded as CCC(C)C1(C(C(=O)OC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C(C)C)O)C)O)O[4].
- spiranine's InChI is recorded as InChI=1S/C23H35NO9/c1-6-13(4)23(30)18(25)19(26)32-14(5)22(29,12(2)3)20(27)31-11-15-7-9-24-10-8-16(17(15)24)33-21(23)28/h7,12-14,16-18,25,29-30H,6,8-11H2,1-5H3/t13?,14-,16-,17-,18+,22+,23-/m1/s1[5].
- spiranine's InChIKey is recorded as LYCHAEUHBIADIF-CRUIESPDSA-N[6].
- spiranine's chemical formula is recorded as C₂₃H₃₅NO₉[7].
- spiranine's subclass of is recorded as pyrrolizidine alkaloid[8].
- spiranine's subclass of is recorded as macrolides[9].
- spiranine's UNII is recorded as 4758ROY4TY[10].
- spiranine's ChemSpider ID is recorded as 52085375[11].
- spiranine's PubChem CID is recorded as 14845643[12].
- spiranine's isomeric SMILES is recorded as CCC(C)[C@]1(C@HO)OC@HO)O">[13].
- spiranine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+469.231'}[14].
- spiranine's DSSTox substance ID is recorded as DTXSID40998412[15].
- spiranine's DSSTOX compound identifier is recorded as DTXCID201425401[16].
- spiranine's UniChem compound ID is recorded as 97172150[17].