Q105209730
group of stereoisomers with the chemical formula C₄₂H₅₀N₄O₅
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Q105209730
Summary
Q105209730 is a group of stereoisomers[1].
Key Facts
- Q105209730's instance of is recorded as group of stereoisomers[2].
- Q105209730's canonical SMILES is recorded as O=C(OC)C1C2NCC(=CC)C1CC(C3=CC4=C(C=C3OC)NC5=C4CCN6CC7CC(CC)C6C5(C(=O)OC)C7)C=8NC=9C=CC=CC9C8C2[3].
- Q105209730's InChI is recorded as InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1[4].
- Q105209730's InChIKey is recorded as PIUQMWWFBLVDEE-QMSPWGGVSA-N[5].
- Q105209730's chemical formula is recorded as C₄₂H₅₀N₄O₅[6].
- Q105209730's subclass of is recorded as iboga alkaloid[7].
- Q105209730's PubChem CID is recorded as 163191102[8].
- Q105209730's ChEBI ID is recorded as 5238[9].
- Q105209730's isomeric SMILES is recorded as C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)C@@HCC1C2C(=O)OCC@@HCC1C2C(=O)OC">[10].
- Q105209730's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+690.3781207'}[11].