Basic information
- Standard SMILES
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C)C(OC(C)=O)CCC12- InChIKey
VQHQLBARMFAKSV-UHFFFAOYSA-N- Molecular formula
- C22H28O4
- Average molar mass
- 356.5 g/mol
Names & identifiers
- Preferred name
- beta-Estradiol diacetate
- IUPAC
- (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Names & synonyms
.beta.-Estradiol diacetatebeta-Estradiol diacetate17.beta.-Estradiol diacetateEstradiol-3,17.beta.-diacetateEstra-1,3,5(10)-triene-3,17-diol (17.beta.)-, diacetate17|A-EstradiolDiacetateMLS002695914CHEMBL1713935SCHEMBL29616163VQHQLBARMFAKSV-UHFFFAOYSA-NNSC106559SMR001562105
Show more names
Estra-1,5(10)-triene-3,17-diol (17.beta.)-, diacetate
Database identifiers
- CAS
3434-88-6- PubChem CID
- 3264
- ChEMBL
CHEMBL1713935
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 572
Related reactions
3 records
Linked notes
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