86V
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol
Find entries where: 86V
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol |
| Identifiers | (2~{S})-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-[(3~{S})-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2~{H}-chromen-7-ol |
| Formula | C29 H31 N O4 |
| Molecular Weight | 457.561 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O |
| InChI | InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29-/m0/s1 |
| InChIKey | KDVXAPCZVZMPMU-SLQAJWMNSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 65 |
| Chiral Atom Count | 2 |
| Bond Count | 69 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 131955117 |
