Basic information
- CAS
28814-94-0- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.O=S(=O)(O)O- InChIKey
LDSYPJSYQOUQMN-CMZLOHJFSA-N- Molecular formula
- C18H26O6S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.14500972
Names & identifiers
- Preferred name
- Estradiol, sulfate
- IUPAC
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;sulfuric acid
- English name
- Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrogen sulfate
- Molecular formula
- C18H24O5S
- Molecular weight
- 352.44516
Names & synonyms
28814-94-0Estradiol, sulfateRefChem:921181249-252-5Estradiol sulfateEstra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrogen sulfateDTXSID80951460EINECS 249-252-5SCHEMBL504620(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;sulfuric acidSulfuric acid--estra-1(10),2,4-triene-3,17-diol (1/1)Sulfuric acid--estra-1(10),2,4-triene-3,17beta-diol (1/1)
Show more names
Estra-1,3,5(10)-triene-3,17-diol (17β)-, hydrogen sulfate
Database identifiers
- CAS
28814-94-0- PubChem CID
- 68581
- DTXSID
DTXSID80951460- EC Number
- 249-252-5
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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