| SpectraBase Compound ID | JujidlxSuF5 |
|---|---|
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | FU8E5INRHix |
|---|---|
| Name | Estrone |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | E3201 |
| CAS Registry Number | 53-16-7 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O2 |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Observed nucleus | 13C |
| Purity | >=99% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 1,3,5(10)-Estratrien-3-ol-17-one 3-Hydroxy-1,3,5(10)-estratrien-17-one Folliculin |
| Wiley ID | SIAL_13CNMR_011821 |