Lithocholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105727_B8BB
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105727_B8BB contains the MS2 mass spectrum of Lithocholic acid with the InChIkey SMEROWZSTRWXGI-YPLGJCPNSA-N.
Source: Lithocholic acid
Chemical Info
| InChI | InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
|---|---|
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C |
| InChI Key | SMEROWZSTRWXGI-YPLGJCPNSA-N |
| Molecular Formula | C24H40O3 |
| Exact Mass | 376.298 g/mol |
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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 | 4c70f21d-b258-4bc3-be9c-f9197a459bbd |
| Package id | msbnk-antwerp_univ-metox_n105727_b8bb |
| Resource type | HTML |
| State | active |