beta-Estradiol diacetate

HCID 3264CAS 3434-88-6

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

Related reactions

3 records

Linked notes

Loading…