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Estradiol
CAS: 50-28-2 | C18H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-28-2
Molecular Formula:
C18H24O2
Molecular Mass:
272.39 g/mol
Names and Synonyms:
Estradiol
Estra-1,3,5(10)-triene-3,17-diol (17β)-
Estradiol
(17β)-Estra-1,3,5(10)-triene-3,17-diol
Altrad
Bardiol
Beta-estradiol
Dihydrofollicular hormone
Dihydrofolliculin
Dihydromenformon
Dihydrotheelin
Dihydroxyestrin
Diogyn
Diogynets
3,17-Epidihydroxyestratriene
Estraldine
Dimenformon
Estrovite
Femestral
Femogen
Gynergon
Gynoestryl
Lamdiol
Macrodiol
Nordicol
Oestergon
Oestradiol
Oestroglandol
Ovahormon
Ovasterol
Ovastevol
Ovocyclin
Primofol
Profoliol
Progynon
Progynon DH
Syndiol
Theelin, dihydro-
Estra-1,3,5(10)-triene-3,17β-diol
Ginosedol
Estra-1,3,5(10)-triene-3,17-diol, (17β)-
β-Estradiol
(+)-3,17β-Estradiol
Oestra-1,3,5(10)-triene-3,17β-diol
3,17β-Dihydroxyestra-1,3,5(10)-triene
3,17β-Estradiol
Perlatanol
Aquadiol
Follicyclin
Corpagen
17β-Oestradiol
Estradiol-17β
Estrace
Compudose
Estraderm
Compudose 365
E 2
Compudose 200
Estrogel
Estraderm TTS
Oestrogel
Menorest
Systen
Evorel
Climaderm
13β-Methyl-1,3,5(10)-gonatriene-3,17β-ol
Estraderm TTS 50
Epiestriol 50
Estroclim 50
Dermestril
Climara
Oesclim
17β-Estradiol
Encore
Aerodiol
Divigel
Sandrena 1
Vagifem
Gelestra
Estraderm TTS 100
Zumenon
Vivelle
NSC 9895
Profoliol B
Ovocylin
Estring Vaginal Ring
Estroclim
Estradot
Femanest
Estrogel HBF
Absorlent Matrix
FemSeven
Estrapatch
Estraderm MX
Alora
Estasorb
Estredox
Estreva
Bio-E Gel
Benzogynestry
Estropause
Menostar
Evamist
Zesteem
Compudose 400
Compudose 100
Vivelle-Dot
Sprediol
Elestrim
Estring
Fempatch
Gynodiol
Innofem
Destradiol
17β-Estradiol E2
TX 004HR
IMVEXXY
(8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Identifiers:
SMILES:
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChI:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
Key Properties
Melting Point
173-179 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.39 g/mol | CAS Common Chemistry |
| 272.3879999999999 g/mol | RDKit | |
| 272.177630008 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Estradiol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34 | CAS Common Chemistry |
| InChI | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N | CAS Common Chemistry |
| Melting Point | 173-179 °C | CAS Common Chemistry |
| Name | Estradiol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.6092000000000026 | RDKit |
| Molar Refractivity | 78.73060000000005 | RDKit |
