| SpectraBase Compound ID | G7oTcoz5Fme |
|---|---|
| InChI | InChI=1S/C31H54O4/c1-8-34-21(3)35-29(4,5)16-9-10-20(2)25-13-14-26-24-12-11-22-18-23(32)19-28(33)31(22,7)27(24)15-17-30(25,26)6/h11,20-21,23-28,32-33H,8-10,12-19H2,1-7H3/t20-,21?,23-,24+,25-,26+,27+,28+,30-,31+/m1/s1 |
| InChIKey | GLBLXCPXQDZQMS-TVUQNEGISA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C31H54O4 |
| Exact Mass | 490.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4TfiwM88WSM |
|---|---|
| Name | Cholest-5-ene-1,3-diol, 25-(1-ethoxyethoxy)-, (1.alpha.,3.beta.)- |
| Alternate Name(s) | (1alpha,3beta)-25-(1-ethoxyethoxy)cholest-5-ene-1,3-diol 25-(1-Ethoxyethoxy)-5-cholesten-1.alpha.,3.beta.-diol (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-(1-ethoxyethoxy)-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-diol (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-(1-ethoxyethoxy)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| CAS Registry Number | 75678-09-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O4 |
| InChI | InChI=1S/C31H54O4/c1-8-34-21(3)35-29(4,5)16-9-10-20(2)25-13-14-26-24-12-11-22-18-23(32)19-28(33)31(22,7)27(24)15-17-30(25,26)6/h11,20-21,23-28,32-33H,8-10,12-19H2,1-7H3/t20-,21?,23-,24+,25-,26+,27+,28+,30-,31+/m1/s1 |
| InChIKey | GLBLXCPXQDZQMS-TVUQNEGISA-N |
| Molecular Weight | 490.769 g/mol |
| SMILES | O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(OC(OCC)C)(C)C)(C)[H])[H])C)[H])C)(O)[H])[H] |
| SPLASH | splash10-00lr-9003000000-517b821e8b28b3c6fff9 |
| Source of Spectrum | H-64-1882-0 |
| Wiley ID | 1397340 |