Basic information
- CAS
24508-01-8- Standard SMILES
CC(=O)Oc1ccc2c(c1)CC=C1C2CCC2(C)C(O)CCC12- InChIKey
RVWUTTUZKJOUDV-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- Estra-1,3,5(10),7-tetraene-3,17beta-diol 3-acetate
- IUPAC
- (17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
24508-01-8EINECS 246-290-4Estra-1,3,5(10),7-tetraene-3,17beta-diol 3-acetateDTXSID4094740017-Hydroxyestra-1(10),2,4,7-tetraen-3-yl acetate
Database identifiers
- CAS
24508-01-8- PubChem CID
- 91193
- DTXSID
DTXSID40947400- EC Number
- 246-290-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 525
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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