Estriol, sulfate
Basic information
- CAS
12687-59-1- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O.O=S(=O)(O)O- InChIKey
RAQLYNMLUBVNHD-OBXBXFETSA-N- Molecular formula
- C18H26O7S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.13992434
Names & identifiers
- Preferred name
- Estriol, sulfate
- IUPAC
- (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol;sulfuric acid
Names & synonyms
Estriol, sulfate28814-95-1SCHEMBL6438208DTXSID40925728Sulfuric acid--estra-1(10),2,4-triene-3,16,17-triol (1/1)Sulfuric acid--estra-1(10),2,4-triene-3,16alpha,17beta-triol (1/1)Estra-1,3,5(10)-triene-3,16,17-triol, hydrogen sulfate, (16alpha,17beta)-12687-59-1
Database identifiers
- CAS
12687-59-1、28814-95-1- PubChem CID
- 190286
- DTXSID
DTXSID40925728
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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