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Catalog Number | ACM84667061 |
CAS Number | 84667-06-1 |
Synonyms | 10,11-Dimethoxy-α-yohimbine |
Molecular Weight | 414.5 |
InChI | InChI=1S/C23H30N2O5/c1-28-19-9-15-13-6-7-25-11-12-4-5-18(26)21(23(27)30-3)14(12)8-17(25)22(13)24-16(15)10-20(19)29-2/h9-10,12,14,17-18,21,24,26H,4-8,11H2,1-3H3/t12-,14+,17+,18-,21+/m1/s1 |
InChI Key | UYNXYVGVBSLXHE-RXZBFESWSA-N |
Purity | 95%+ |
Complexity | 647 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 5 |
Exact Mass | 414.21547206 |
Heavy Atom Count | 30 |
Hydrogen Bond Acceptor Count | 6 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | COC1=C(C=C2C(=C1)C3=C(N2)[C@@H]4C[C@H]5[C@H](CC[C@H]([C@H]5C(=O)OC)O)CN4CC3)OC |
Monoisotopic Mass | 414.21547206 |
PhysicalState | Powder |
Rotatable Bond Count | 4 |
Topological Polar Surface Area | 84 Ų |
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