![1-[3'-.beta.-Choles-5'-en-3'-oxymethyl]methyl-(5S)-(R)-2-pyrrolidone-5-carboxylate](/api/spectrum/BWNHF0Dg4iq/structure.png?h=300&w=458 "1-[3'-.beta.-Choles-5'-en-3'-oxymethyl]methyl-(5S)-(R)-2-pyrrolidone-5-carboxylate")
| SpectraBase Compound ID | 7KAoPjrkc2H |
|---|---|
| InChI | InChI=1S/C34H55NO4/c1-22(2)8-7-9-23(3)27-12-13-28-26-11-10-24-20-25(16-18-33(24,4)29(26)17-19-34(27,28)5)39-21-35-30(32(37)38-6)14-15-31(35)36/h10,22-23,25-30H,7-9,11-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,30+,33+,34-/m1/s1 |
| InChIKey | WLSQUNQWUKLGSD-PJKCZLNQSA-N |
| Mol Weight | 541.8 g/mol |
| Molecular Formula | C34H55NO4 |
| Exact Mass | 541.413109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BWNHF0Dg4iq |
|---|---|
| Name | 1-[3'-.beta.-Choles-5'-en-3'-oxymethyl]methyl-(5S)-(R)-2-pyrrolidone-5-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H55NO4 |
| InChI | InChI=1S/C34H55NO4/c1-22(2)8-7-9-23(3)27-12-13-28-26-11-10-24-20-25(16-18-33(24,4)29(26)17-19-34(27,28)5)39-21-35-30(32(37)38-6)14-15-31(35)36/h10,22-23,25-30H,7-9,11-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,30+,33+,34-/m1/s1 |
| InChIKey | WLSQUNQWUKLGSD-PJKCZLNQSA-N |
| Molecular Weight | 541.817 g/mol |
| SMILES | [C@]1(N(C(CC1)=O)CO[C@@]1(CC2=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])(C(=O)OC)[H] |
| SPLASH | splash10-014m-9430000000-aabcbcd470ee80fe9553 |
| Source of Spectrum | KD-16-3984-11 |
| Wiley ID | 1638058 |