| SpectraBase Compound ID | ELVpFqzhhX9 |
|---|---|
| InChI | InChI=1S/C29H27N3O2/c1-34-23-8-9-27-25(16-23)24(10-12-30-27)29(33)28-15-20-11-13-32(28)18-22(20)7-6-19-14-21-4-2-3-5-26(21)31-17-19/h2-5,8-10,12,14,16-17,20,22,28-29,33H,11,13,15,18H2,1H3/t20-,22-,28+,29+/m1/s1 |
| InChIKey | RTCGEXPOPCDUPV-PWMQMKTJSA-N |
| Mol Weight | 449.55 g/mol |
| Molecular Formula | C29H27N3O2 |
| Exact Mass | 449.210327 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KM5v1spGcoG |
|---|---|
| Name | (3S,4S,8R,9S)-11-(3"-Quinoyl)-10,11-didehydro-6'-methoxycinchonan-9-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H27N3O2 |
| InChI | InChI=1S/C29H27N3O2/c1-34-23-8-9-27-25(16-23)24(10-12-30-27)29(33)28-15-20-11-13-32(28)18-22(20)7-6-19-14-21-4-2-3-5-26(21)31-17-19/h2-5,8-10,12,14,16-17,20,22,28-29,33H,11,13,15,18H2,1H3/t20-,22-,28+,29+/m1/s1 |
| InChIKey | RTCGEXPOPCDUPV-PWMQMKTJSA-N |
| Molecular Weight | 449.554 g/mol |
| SMILES | O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@]1(N2C[C@@](C#Cc3cc4ccccc4nc3)([C@](CC2)(C1)[H])[H])[H])[H] |
| SPLASH | splash10-03di-1591100000-7f7b02a3b4b1d6f4e3d7 |
| Source of Spectrum | K-2001-54-21 |
| Wiley ID | 1578353 |