| NACRES | NA.22 |
|---|---|
| PubChem Substance ID | 24873293 |
| UNSPSC Code | 12352005 |
| MDL number | MFCD01632446 |
| Quality Level | 100 |
| InChI | 1S/C37H37N2O.BrH/c1-3-21-40-37(33-17-19-38-35-16-10-9-15-32(33)35)36-23-27-18-20-39(36,24-26(27)4-2)25-34-30-13-7-5-11-28(30)22-29-12-6-8-14-31(29)34;/h3-17,19,22,26-27,36-37H,1-2,18,20-21,23-25H2;1H/q+1;/p-1/t26-,27-,36-,37+,39?;/m0./s1 |
| SMILES string | [Br-].[H][C@@]12CC[N+](C[C@@H]1C=C)(Cc3c4ccccc4cc5ccccc35)[C@@]([H])(C2)[C@H](OCC=C)c6ccnc7ccccc67 |
| InChI key | QOWNPAUSLGATNL-JNKXQCINSA-M |
| assay | 90% |
| optical activity | [α]20/D −345±30°, c = 0.45 in chloroform |
| mp | 170 °C (dec.) (lit.) |
| functional group | ether |
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