| SpectraBase Compound ID | L6B2Muhv1Yk |
|---|---|
| InChI | InChI=1S/C35H58O5/c1-8-10-30(37)39-25-15-18-34(6)24(20-25)12-13-26-27(34)16-19-35(7)28(26)21-29(40-31(38)11-9-2)32(35)33(5,22-36)17-14-23(3)4/h22-29,32H,8-21H2,1-7H3/t24?,25-,26+,27-,28-,29-,32+,33+,34-,35-/m0/s1 |
| InChIKey | FOOKJWUGIFKKJC-AQTNFOCHSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C35H58O5 |
| Exact Mass | 558.428425 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FzL2Qe366pX |
|---|---|
| Name | (20S)-3.beta.,16.beta.-Dibutyryloxy-22-norcholest-20-carbaldehyde |
| Alternate Name(s) | Butanoic acid [(3S,8R,9S,10S,13S,14S,16S,17S)-17-[(2S)-2,5-dimethyl-1-oxohexan-2-yl]-10,13-dimethyl-16-(1-oxobutoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8R,9S,10S,13S,14S,16S,17S)-16-butanoyloxy-17-[(2S)-2,5-dimethyl-1-oxohexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate [(3S,8R,9S,10S,13S,14S,16S,17S)-16-butanoyloxy-17-[(1S)-1-formyl-1,4-dimethyl-pentyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate [(3S,8R,9S,10S,13S,14S,16S,17S)-16-butanoyloxy-17-[(2S)-2,5-dimethyl-1-oxidanylidene-hexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H58O5 |
| InChI | InChI=1S/C35H58O5/c1-8-10-30(37)39-25-15-18-34(6)24(20-25)12-13-26-27(34)16-19-35(7)28(26)21-29(40-31(38)11-9-2)32(35)33(5,22-36)17-14-23(3)4/h22-29,32H,8-21H2,1-7H3/t24?,25-,26+,27-,28-,29-,32+,33+,34-,35-/m0/s1 |
| InChIKey | FOOKJWUGIFKKJC-AQTNFOCHSA-N |
| Molecular Weight | 558.844 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)CCC)(C4)[H])C)[H])(C[C@@]([C@@]1([C@](CCC(C)C)(C=O)C)[H])(OC(=O)CCC)[H])[H])C |
| SPLASH | splash10-00di-3139400000-f47d544fd378f6c6eb47 |
| Source of Spectrum | J-67-2720-21 |
| Wiley ID | 1569486 |