benzoylmesaconine
chemical compound
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benzoylmesaconine
Summary
benzoylmesaconine is a group of stereoisomers[1].
Key Facts
- benzoylmesaconine's instance of is recorded as group of stereoisomers[2].
- benzoylmesaconine's CAS Registry Number is recorded as 63238-67-5[3].
- benzoylmesaconine's canonical SMILES is recorded as CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC[4].
- benzoylmesaconine's InChI is recorded as InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1[5].
- benzoylmesaconine's InChIKey is recorded as PULWZCUZNRVAHT-IJNXHYLPSA-N[6].
- benzoylmesaconine's chemical formula is recorded as C₃₁H₄₃NO₁₀[7].
- benzoylmesaconine's subclass of is recorded as chemical compound[8].
- benzoylmesaconine's ChemSpider ID is recorded as 57256856[9].
- benzoylmesaconine's PubChem CID is recorded as 24832659[10].
- benzoylmesaconine's ChEBI ID is recorded as 132630[11].
- benzoylmesaconine's found in taxon is recorded as Aconitum japonicum[12].
- benzoylmesaconine's found in taxon is recorded as Aconitum okuyamae[13].
- benzoylmesaconine's found in taxon is recorded as Aconitum kusnezoffii[14].
- benzoylmesaconine's found in taxon is recorded as Aconitum carmichaelii[15].
- benzoylmesaconine's found in taxon is recorded as Aconitum carmichaeli[16].
- benzoylmesaconine's isomeric SMILES is recorded as COC[C@]12CN(C)C3[C@@H]4C@H[C@H]1[C@@]3(C@@HC[C@H]2O)[C@@H]1C[C@@]2(O)C@H[C@@H]1[C@]4(O)C@@H[C@@H]2OCC@H[C@H]1[C@@]3(C@@HC[C@H]2O)[C@@H]1C[C@@]2(O)C@H[C@@H]1[C@]4(O)C@@H[C@@H]2OC">[17].
- benzoylmesaconine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+589.289'}[18].
- benzoylmesaconine's SureChEMBL ID is recorded as 29351722[19].
- benzoylmesaconine's DSSTox substance ID is recorded as DTXSID10979273[20].
- benzoylmesaconine's DSSTOX compound identifier is recorded as DTXCID801406574[21].
- benzoylmesaconine's UniChem compound ID is recorded as 27302992[22].