| SpectraBase Compound ID | ERHWHi0W8ua |
|---|---|
| InChI | InChI=1S/C27H32O2/c1-26-13-11-23-22-10-8-21(28)16-19(22)6-9-24(23)25(26)12-14-27(26,29)20-7-5-17-3-2-4-18(17)15-20/h5,7-8,10,15-16,23-25,28-29H,2-4,6,9,11-14H2,1H3/t23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | OYRNSMVGYAGQLU-IONQDRQYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C27H32O2 |
| Exact Mass | 388.24023 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5iKQP3FIGnh |
|---|---|
| Name | 17.alpha.-(1,3-Dihydro-2H-inden-5-yl)-estradiol |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O2 |
| InChI | InChI=1S/C27H32O2/c1-26-13-11-23-22-10-8-21(28)16-19(22)6-9-24(23)25(26)12-14-27(26,29)20-7-5-17-3-2-4-18(17)15-20/h5,7-8,10,15-16,23-25,28-29H,2-4,6,9,11-14H2,1H3/t23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | OYRNSMVGYAGQLU-IONQDRQYSA-N |
| Ionization Type | EI |
| Molecular Weight | 388.551 g/mol |
| Optical Rotation | [a]D = +57.2 (c = 0.009, acetone) |
| Reported Formula | C27H32O2 |
| SMILES | Oc1ccc2c(CC[C@@]3([C@@]2(CC[C@@]2([C@](c4ccc5c(c4)CCC5)(CC[C@@]32[H])O)C)[H])[H])c1 |
| SPLASH | splash10-0159-9100000000-7da1feec7c70cfd44b63 |
| Source of Spectrum | US20110118225A1 |
| Wiley ID | 1861824 |