| SpectraBase Compound ID | CRCQCP9MAPh |
|---|---|
| InChI | InChI=1S/C31H48O2/c1-22(8-7-19-32)27-13-14-28-26-12-11-24-20-25(33-21-23-9-5-4-6-10-23)15-17-30(24,2)29(26)16-18-31(27,28)3/h4-6,9-10,22,24-29,32H,7-8,11-21H2,1-3H3/t22-,24?,25-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | SOWUDWMOIKCVGK-FAQMPFIMSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JaLMXjZbj6v |
|---|---|
| Name | 3.alpha.-Benzyloxycholan-24-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/c1-22(8-7-19-32)27-13-14-28-26-12-11-24-20-25(33-21-23-9-5-4-6-10-23)15-17-30(24,2)29(26)16-18-31(27,28)3/h4-6,9-10,22,24-29,32H,7-8,11-21H2,1-3H3/t22-,24?,25-,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | SOWUDWMOIKCVGK-FAQMPFIMSA-N |
| Molecular Weight | 452.723 g/mol |
| SMILES | OCCC[C@]([C@@]1([C@@]2([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](OCc2ccccc2)(C4)[H])C)[H])(CC1)[H])C)[H])(C)[H] |
| SPLASH | splash10-0006-7889400000-43ae87b31e20b663efc6 |
| Source of Spectrum | F-48-9946-4 |
| Synonyms | (3alpha)-3-(benzyloxy)cholan-24-ol |
| Wiley ID | 1388425 |