isotalatizidine

AlkaPlorer ID: AK001476

Synonym: '', '(1alpha,14alpha,16beta)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol', 'Isotalatizidine', 'Talatizidine'

IUPAC Name: None

Structure

SMILES: CC[NH+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14

copy

InChI: InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/p+1/t12-,13-,14+,15+,16-,17+,18-,19+,20-,21+,22+,23-/m1/s1

copy

InChIKey: RBSZCNOWHDHRFZ-VHNKBEDGSA-O

copy

Properties Information

Molecule Weight: 408.55900000000014

TPSA: 83.59000000000002

MolLogP: -0.5399999999999958

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information