| SpectraBase Compound ID | E8ezDBZwL4L |
|---|---|
| InChI | InChI=1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3/t16-,17+,18-,19-,20?,21?,22-,23+,25?,27+,28-/m1/s1 |
| InChIKey | KIRFLCKWEBLZMD-GKXAVWKYSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C28H46O7 |
| Exact Mass | 494.324354 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HwzLUNJIat8 |
|---|---|
| Name | Methyl 3-carbethoxy-7.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O7 |
| InChI | InChI=1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3/t16-,17+,18-,19-,20?,21?,22-,23+,25?,27+,28-/m1/s1 |
| InChIKey | KIRFLCKWEBLZMD-GKXAVWKYSA-N |
| Molecular Weight | 494.669 g/mol |
| SMILES | O[C@@]1([C@]2(C(C3[C@@](C[C@]4([C@@](C3C1)(CC[C@](C4)(OC(=O)OCC)[H])C)[H])(O)[H])CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])C)[H] |
| SPLASH | splash10-0udi-0096100000-9570a493f2ab957fe51b |
| Source of Spectrum | U1-1998-722-3a |
| Wiley ID | 751080 |