Q104979182
group of stereoisomers with the chemical formula C₅₀H₈₄O₂₁
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Q104979182
Summary
Q104979182 is a group of stereoisomers[1].
Key Facts
- Q104979182's instance of is recorded as group of stereoisomers[2].
- Q104979182's canonical SMILES is recorded as O=C(OC1C(O)C(O)C(OC1C)OC2C(OC3OC4C(OC(CO)C(O)C4O)OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)CC)OC(C)C(O)C5O)C)C(=CC)C[3].
- Q104979182's InChI is recorded as InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26?,27-,28-,29+,30?,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,47+,48+,49+,50+/m1/s1[4].
- Q104979182's InChIKey is recorded as DGRGOOVTCYVEDQ-KZZWALMPSA-N[5].
- Q104979182's chemical formula is recorded as C₅₀H₈₄O₂₁[6].
- Q104979182's subclass of is recorded as macrolides[7].
- Q104979182's PubChem CID is recorded as 44421680[8].
- Q104979182's isomeric SMILES is recorded as C/C=C(\C)C(=O)O[C@@H]1C@@HOC@@HC@H[C@H]1OC@@HO[C@@H](O[C@H]2C@HO[C@H]3O[C@H]4C@@HO[C@@H]4C@@HC@HC@@HO[C@H]4OC(CCCCC)CCCCCCCCC">[9].
- Q104979182's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1020.5505097079999'}[10].
- Q104979182's UniChem compound ID is recorded as 580645[11].