| SpectraBase Compound ID | ED6BH1wntnS |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3 |
| InChIKey | VQHQLBARMFAKSV-UHFFFAOYSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 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 | KNAVzIlItmm |
|---|---|
| Name | Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, diacetate |
| Alternate Name(s) | (3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate .alpha.-Estradiol diacetate .beta.-Estradiol diacetate 17.alpha.-Estradiol diacetate 17.beta.-Estradiol diacetate 3,17.beta.-Diacetoxyestra-1,3,5(10)-triene Acetic acid (3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Estra-1,3,5(10)-triene-3,17.beta.-diol diacetate Estradiol, diacetate Estradiol-3,17-diacetate Estradiol-3,17.beta.-diacetate EINECS 222-335-3 NSC 106559 |
| CAS Registry Number | 3434-88-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O4 |
| InChI | InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3 |
| InChIKey | VQHQLBARMFAKSV-UHFFFAOYSA-N |
| Molecular Weight | 356.462 g/mol |
| SMILES | CC12C(C3C(c4c(CC3)cc(OC(C)=O)cc4)CC2)CCC1OC(C)=O |
| SPLASH | splash10-03dl-9825000000-fc48ed3e02d1cdf72c9f |
| Source of Spectrum | O-3-783-4 |
| Wiley ID | 52758 |