Estradiol, diacetate
CAS Registry Number®
3434-88-6
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CAS Name
Estradiol, diacetateMolecular Formula
C22H28O4Molecular Mass
356.46Cite this Page
Estradiol, diacetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3434-88-6 (retrieved ) (CAS RN: 3434-88-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
127-129 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey
InChIKey=VQHQLBARMFAKSV-AANPDWTMSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(C)=O)[H]
Canonical SMILES
O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)C)CCC34)C
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-diacetate
- Estradiol, diacetate
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, diacetate
- β-Estradiol diacetate
- Estradiol-3,17β-diacetate
Deleted or Replaced CAS Registry Numbers
69557-96-6
