| SpectraBase Compound ID | BmmyNFEwGdw |
|---|---|
| InChI | InChI=1S/C27H45NO5/c1-16(5-10-24(31)28-15-25(32)33-4)20-8-9-21-19-7-6-17-13-18(29)11-12-26(17,2)22(19)14-23(30)27(20,21)3/h16-23,29-30H,5-15H2,1-4H3,(H,28,31)/t16-,17?,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1 |
| InChIKey | IZXOLINGGGWDPJ-IZQWTXGISA-N |
| Mol Weight | 463.7 g/mol |
| Molecular Formula | C27H45NO5 |
| Exact Mass | 463.329774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GTXo9hqW1vu |
|---|---|
| Name | Methyl glycodeoxycholate |
| Alternate Name(s) | Methyl {[(3alpha,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO5 |
| InChI | InChI=1S/C27H45NO5/c1-16(5-10-24(31)28-15-25(32)33-4)20-8-9-21-19-7-6-17-13-18(29)11-12-26(17,2)22(19)14-23(30)27(20,21)3/h16-23,29-30H,5-15H2,1-4H3,(H,28,31)/t16-,17?,18-,19+,20-,21+,22+,23+,26+,27-/m1/s1 |
| InChIKey | IZXOLINGGGWDPJ-IZQWTXGISA-N |
| Molecular Weight | 463.659 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]3(C(CC[C@]2([C@]2([C@]1([C@@]([C@@](CCC(NCC(=O)OC)=O)(C)[H])(CC2)[H])C)[H])[H])C[C@@](CC3)(O)[H])C)[H])[H] |
| SPLASH | splash10-053r-0590100000-5b14832d3d4f0413762d |
| Source of Spectrum | BS-5-85-0 |
| Wiley ID | 1391335 |