| SpectraBase Spectrum ID |
Ad3hPbsGPB0 |
| Name |
Estradiol benzoate |
| CAS Registry Number |
50-50-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
376.203844759 u |
| Formula |
C25H28O3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1 |
| InChIKey |
UYIFTLBWAOGQBI-BZDYCCQFSA-N |
| Molecular Weight |
376.496 g/mol |
| Nominal Mass |
376 u |
| Number of Peaks |
328 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@](CC2)(c2c(CC3)cc(OC(=O)c3ccccc3)cc2)[H])[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-0a4i-2901000000-bbf56885e509f4d8d151 |
| Source |
Cayman Chemicals |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001805 |
