Pregnanetriol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N108631_D0B8
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108631_D0B8 contains the MS2 mass spectrum of Pregnanetriol with the InChIkey SCPADBBISMMJAW-UHHUKTEYSA-N.
Source: Pregnanetriol
Chemical Info
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O |
| InChI Key | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266 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 | 42bdb2e8-c429-4674-aa24-8a07c5a71b66 |
| Package id | msbnk-antwerp_univ-metox_n108631_d0b8 |
| Resource type | HTML |
| State | active |