| SpectraBase Compound ID | Kf7PM9NrfF1 |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21?,22?,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | CUGYBEVFMLOOBH-QZGWZMIMSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JaIgLojYnPu |
|---|---|
| Name | 3-(Carboxymethoxy)cholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21?,22?,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | CUGYBEVFMLOOBH-QZGWZMIMSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | OC(COC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)=O |
| SPLASH | splash10-000b-0006900000-ca5aa4e841fa5af23287 |
| Source of Spectrum | F2-44-846-34 |
| Synonyms | (cholestan-3-yloxy)acetic acid 2-[[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetic acid 2-[[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanoic acid |
| Wiley ID | 1639139 |