beta-Estradiol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N104728_9C9C
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N104728_9C9C contains the MS2 mass spectrum of beta-Estradiol with the InChIkey VOXZDWNPVJITMN-ZBRFXRBCSA-N.
Source: beta-Estradiol
Chemical Info
| InChI | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| InChI Key | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.178 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 | cf82c50a-2928-4d52-99e0-565bbb90934c |
| Package id | msbnk-antwerp_univ-metox_n104728_9c9c |
| Resource type | HTML |
| State | active |