| SpectraBase Compound ID | BuFl2Bn9kfm |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17-5-10-25(29-16-17)18(2)22-8-9-23-21-7-6-19-15-20(28)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28H,5-16H2,1-4H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | WIXFWTXCVUAGDJ-YGPJGSQHSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GtOmf5OD90e |
|---|---|
| Name | 20-(5-Methyltetrahydro-2H-pyran-2-yl)pregnan-3-ol |
| Alternate Name(s) | Cholestan-22(26)-isoepoxy-3.beta.-ol 10,13-dimethyl-17-[1-(5-methyl-2-oxanyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 10,13-dimethyl-17-[1-(5-methyloxan-2-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| CAS Registry Number | 103099-02-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-17-5-10-25(29-16-17)18(2)22-8-9-23-21-7-6-19-15-20(28)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-25,28H,5-16H2,1-4H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | WIXFWTXCVUAGDJ-YGPJGSQHSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)C1OC[C@@](CC1)(C)[H])C)C |
| SPLASH | splash10-0002-9100000000-c615e21e058d3ece5096 |
| Source of Spectrum | NP-14-5376-0 |
| Wiley ID | 1111824 |