Feraconitine
group of stereoisomers with the chemical formula C₃₆H₅₁NO₁₂
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Feraconitine
Summary
Feraconitine is a group of stereoisomers[1].
Key Facts
- Feraconitine's instance of is recorded as group of stereoisomers[2].
- Feraconitine's canonical SMILES is recorded as O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C7=CC=C(OC)C(OC)=C7[3].
- Feraconitine's InChI is recorded as InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27?,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1[4].
- Feraconitine's InChIKey is recorded as YVPYMQHYESYLIR-RGZINUIMSA-N[5].
- Feraconitine's chemical formula is recorded as C₃₆H₅₁NO₁₂[6].
- Feraconitine's subclass of is recorded as aconitane alkaloid[7].
- Feraconitine's PubChem CID is recorded as 118701207[8].
- Feraconitine's isomeric SMILES is recorded as CCN1C[C@@]2(COC)[C@H]3C@@HC4C1[C@]3(C@@HC[C@H]2O)[C@@H]1C[C@]2(O)C@@HC[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1C@@HC4C1[C@]3(C@@HC[C@H]2O)[C@@H]1C[C@]2(O)C@@HC[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1">[9].
- Feraconitine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+689.3411260719998'}[10].
- Feraconitine's UniChem compound ID is recorded as 145245381[11].