| SpectraBase Compound ID | L69LjMudicL |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | QMQIQBOGXYYATH-IDABPMKMSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3GaZuIDVBjR |
|---|---|
| Name | (1beta,3beta,25R)-spirost-5-ene-1,3-diol |
| Alternate Name(s) | (25S)-Ruscogenin Ruscogenin EINECS 207-447-2 |
| CAS Registry Number | 472-11-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | QMQIQBOGXYYATH-IDABPMKMSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | O[C@@]1(C[C@@](CC2=CC[C@]3([C@]4([C@](CC[C@@]3([C@@]12C)[H])([C@@]1([C@](C4)(O[C@]2([C@]1(C)[H])OC[C@@](CC2)(C)[H])[H])[H])C)[H])[H])(O)[H])[H] |
| SPLASH | splash10-01p9-0932600000-ed9a239ac2eeb1de04cd |
| Source of Spectrum | X4-26-413-0 |
| Wiley ID | 1586314 |