| SpectraBase Compound ID | 6YxHaTpttP1 |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17?,18?,20?,21?,22?,23?,24?,25-,26-,27?/m0/s1 |
| InChIKey | CIBAPVLFORANSS-RUPSVPAWSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B8OcpDyw6pJ |
|---|---|
| Name | Smilagenone |
| Alternate Name(s) | Neotigogenone (25S)-spirostan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17?,18?,20?,21?,22?,23?,24?,25-,26-,27?/m0/s1 |
| InChIKey | CIBAPVLFORANSS-RUPSVPAWSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CCC(=O)C4)C)CC2OC3(C(C12)C)OC[C@](CC3)(C)[H])C |
| SPLASH | splash10-029i-0933200000-700827cc8b70b7e27955 |
| Source of Spectrum | CD-503-0-0 |
| Wiley ID | 1375712 |