Deoxycholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103609_EF88
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103609_EF88 contains the MS2 mass spectrum of Deoxycholic acid with the InChIkey KXGVEGMKQFWNSR-LLQZFEROSA-N.
Source: Deoxycholic acid
Chemical Info
| InChI | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChI Key | KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.293 g/mol |
There are no views created for this resource yet.
Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 7bcb37ff-cc65-41b1-8cf5-d9a0d9275298 |
| Package id | msbnk-antwerp_univ-metox_n103609_ef88 |
| Resource type | HTML |
| State | active |