| SpectraBase Compound ID | 7q75Iy7vdx8 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,29-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1 |
| InChIKey | HFOSABNORYNULM-JSALYLKVSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AoQgfwWfYV4 |
|---|---|
| Name | (25S)-Isosolafloridine |
| Alternate Name(s) | (3-beta,5-alpha,16-alpha)-16,28-secosolanid-22(28)-ene-3,16-diol (3S,5S,8R,9S,10S,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 16,28-Secosolanid-22(28)-ene-3,16-diol, (3-beta,5-alpha,16-alpha)- 25-Isosolafloridine |
| CAS Registry Number | 36297-66-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,29-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1 |
| InChIKey | HFOSABNORYNULM-JSALYLKVSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@@](CC[C@]3([C@]4([C@@]([C@]([C@@](C4)(O)[H])([C@@](C4=NC[C@](CC4)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH | splash10-03fs-1905000000-72a88613159c482a60b2 |
| Source of Spectrum | B-32-604-0 |
| Wiley ID | 1376090 |