| SpectraBase Compound ID | 5D4sDOJ0PjS |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-6-32-24(31)11-15(2)25-23(30)14-20-18-13-22(29)21-12-17(33-16(3)28)7-9-26(21,4)19(18)8-10-27(20,25)5/h15,17-21,25H,6-14H2,1-5H3/t15-,17+,18-,19+,20+,21?,25+,26-,27+/m1/s1 |
| InChIKey | LSAOHRNFZATXGD-SUVRWFESSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20SK0desXZm |
|---|---|
| Name | Ethyl 3.beta.-acetoxy-6,16-dioxo-24-nor-cholan-23-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.282489002 u |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-6-32-24(31)11-15(2)25-23(30)14-20-18-13-22(29)21-12-17(33-16(3)28)7-9-26(21,4)19(18)8-10-27(20,25)5/h15,17-21,25H,6-14H2,1-5H3/t15-,17+,18-,19+,20+,21?,25+,26-,27+/m1/s1 |
| InChIKey | LSAOHRNFZATXGD-SUVRWFESSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC(=O)C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC([C@@]1([C@@](CC(=O)OCC)(C)[H])[H])=O)[H])C |