![8-Methoxy-3-(Iodomethyl)-12a-methyldecahydropyrano[4,3-a]phenanthrene](/api/spectrum/BNVboDM5ZzH/structure.png?h=300&w=458 "8-Methoxy-3-(Iodomethyl)-12a-methyldecahydropyrano[4,3-a]phenanthrene")
| SpectraBase Compound ID | 1WjOZUFLpdq |
|---|---|
| InChI | InChI=1S/C26H31IO2/c1-26-12-11-23-22-10-8-20(28-16-18-5-3-2-4-6-18)13-19(22)7-9-24(23)25(26)14-21(15-27)29-17-26/h2-6,8,10,13,21,23-25H,7,9,11-12,14-17H2,1H3/t21?,23-,24-,25+,26-/m1/s1 |
| InChIKey | OROIWHWELUUPMW-MSDQECDRSA-N |
| Mol Weight | 502.44 g/mol |
| Molecular Formula | C26H31IO2 |
| Exact Mass | 502.136875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNVboDM5ZzH |
|---|---|
| Name | 8-Methoxy-3-(iodomethyl)-12A-methyldecahydropyrano[4,3-A]phenanthrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.136875236 u |
| Formula | C26H31IO2 |
| InChI | InChI=1S/C26H31IO2/c1-26-12-11-23-22-10-8-20(28-16-18-5-3-2-4-6-18)13-19(22)7-9-24(23)25(26)14-21(15-27)29-17-26/h2-6,8,10,13,21,23-25H,7,9,11-12,14-17H2,1H3/t21?,23-,24-,25+,26-/m1/s1 |
| InChIKey | OROIWHWELUUPMW-MSDQECDRSA-N |
| Molecular Weight | 502.436 g/mol |
| SMILES | [C@]12([C@@](C3=CC=C(C=C3CC2)OCC2=CC=CC=C2)(CC[C@]2([C@]1(CC(OC2)CI)[H])C)[H])[H] |