Estradiol hemihydrate - CAS 35380-71-3
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Catalog Number: A001240
CAS Number: 35380-71-3
PubChem Substance ID:441585708
Molecular Formula: C18H24O2 · 0.5H2O
Molecular Weight:281.39
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
| Synonyms | β-Estradiol hemihydrate, 3,17β-Dihydroxy-1,3,5(10)-estratriene, 1,3,5-Estratriene-3,17β-diol |
|---|
Property
| Molecular Formula: | C18H24O2 · 0.5H2O |
|---|---|
| Molecular Weight | 281.39 |
| Purity | ≥95% |
| MDL | MFCD23102821 |
| Related CAS. | 50-28-2 |
Computed Descriptor
| IUPAC Name | (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate |
|---|---|
| InChI | InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1 |
| InChIKey | ZVVGLAMWAQMPDR-WVEWYJOQSA-N |
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.O |