| SpectraBase Compound ID | 1hlJfuNTQcP |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(29)16(3)25-23(30)14-21-19-8-7-17-12-18(28)13-24(31)27(17,5)20(19)10-11-26(21,25)4/h7,15-16,18-25,28-31H,6,8-14H2,1-5H3/t16-,18-,19-,20+,21+,22+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | KPXZHYLGRFOLAD-UXKFJXGFSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KI4hXkp5SAY |
|---|---|
| Name | Alliosterol |
| Alternate Name(s) | (1beta,3beta,16beta,22S)-cholest-5-ene-1,3,16,22-tetrol (1R,3R,8S,9S,10R,13S,14S,16S,17R)-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,16-triol (1R,3R,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(2S,3S)-6-methyl-3-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,16-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(29)16(3)25-23(30)14-21-19-8-7-17-12-18(28)13-24(31)27(17,5)20(19)10-11-26(21,25)4/h7,15-16,18-25,28-31H,6,8-14H2,1-5H3/t16-,18-,19-,20+,21+,22+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | KPXZHYLGRFOLAD-UXKFJXGFSA-N |
| Molecular Weight | 434.661 g/mol |
| SMILES | O[C@]1(C[C@]([C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@]([C@](CCC(C)C)(O)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)(O)[H])[H] |
| SPLASH | splash10-014j-0064900000-d12c6ce6915fe5e9756d |
| Source of Spectrum | X4-28-302-0 |
| Wiley ID | 1586474 |