(rac)-pseudaconitine
chemical compound
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(rac)-pseudaconitine
Summary
(rac)-pseudaconitine is a group of stereoisomers[1].
Key Facts
- (rac)-pseudaconitine's instance of is recorded as group of stereoisomers[2].
- (rac)-pseudaconitine's chemical structure is recorded as Pseudaconitine.svg[3].
- (rac)-pseudaconitine's CAS Registry Number is recorded as 1369-10-4[4].
- (rac)-pseudaconitine'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[5].
- (rac)-pseudaconitine'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[6].
- (rac)-pseudaconitine's InChIKey is recorded as YVPYMQHYESYLIR-UHFFFAOYSA-N[7].
- (rac)-pseudaconitine's chemical formula is recorded as C₃₆H₅₁NO₁₂[8].
- (rac)-pseudaconitine's subclass of is recorded as Feraconitine[9].
- (rac)-pseudaconitine's ChEMBL ID is recorded as CHEMBL509646[10].
- (rac)-pseudaconitine's Freebase ID is recorded as /m/05ny5v[11].
- (rac)-pseudaconitine's ChemSpider ID is recorded as 390354[12].
- (rac)-pseudaconitine's PubChem CID is recorded as 3035296[13].
- (rac)-pseudaconitine's ChEBI ID is recorded as 8601[14].
- (rac)-pseudaconitine's found in taxon is recorded as Aconitum ferox[15].
- (rac)-pseudaconitine's found in taxon is recorded as Aconitum falconeri[16].
- (rac)-pseudaconitine's found in taxon is recorded as Aconitum lethale[17].
- (rac)-pseudaconitine's isomeric SMILES is recorded as O=C(O[C@H]5[C@]3(O)C[C@H]4[C@@]16C2N(CC)CC@(COC)C@HC[C@@H]6OC)c7ccc(OC)c(OC)c7C@(COC)C@HC[C@@H]6OC)c7ccc(OC)c(OC)c7">[18].
- (rac)-pseudaconitine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+689.341126072'}[19].
- (rac)-pseudaconitine's DSSTox substance ID is recorded as DTXSID10388785[20].
- (rac)-pseudaconitine's DSSTOX compound identifier is recorded as DTXCID40339745[21].
- (rac)-pseudaconitine's UniChem compound ID is recorded as 49268000[22].