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Progesterone
CAS: 57-83-0 | C21H30O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-83-0
Molecular Formula:
C21H30O2
Molecular Weight:
314.46900000000005 g/mol
Names and Synonyms:
Progesterone
Pregn-4-ene-3,20-dione
Progesterone
Corlutin
Corlutina
Corluvite
Corporin
Corpus luteum hormone
Flavolutan
Fologenon
Gestone
Gestormone
Glanducorpin
Hormoflaveine
Hormoluton
Luteal Hormone
Luteinique
Luteodyn
Luteogan
Luteohormone
Luteosan
Luteostab
Luteovis
Lutex
Lutidon
Lutocyclin
Lutocyclin M
Lutocylin
Lutoform
Lutogyl
Lutren
Lutromone
Piaponon
Primolut
Progekan
Progesterol
Progestin
Progestone
Prolidon
Luteol
Syntolutan
Proluton
Agolutin
Lucorteum Sol
Gestron
Percutacrine Luteinique
Lipo-Lutin
Nalutron
Progestron
Luteopur
Bio-luton
Gynlutin
Gynolutone
Gesterol
Luteocrin normale
Syngestrets
Prolets
Lutin
Lutociclina
Protormone
Progestasert
Vitarrine
Δ4-Pregnene-3,20-dione
Utrogestan
Luteum
U 3672
Crinone
Progestogel
Lugesteron
Prontogest
Prometrium
Utrogest
Cyclogest
Syngesterone
Progestol
Gestiron
Lutocuclin M
Progeston
NSC 64377
NSC 9704
Progeffik
Progestan
Duraprogen
CIDR
Estima
Prochieve
Endometrin
Minagest
Microgest
Lugesterone
EAZI-BREED CIDR
4-Pregnene-3,20-dione
P4
Luteosterone
Sincrogest
Lutinus
Cue-Mate
Progeffik 200
Identifiers:
SMILES:
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI:
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 314.47 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Progesterone None | Legacy Database |
| cas-canonical-smile | O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1 None | Legacy Database |
| cas-density | 1.166 g/cm3 @ Temp: 23 °C None | Legacy Database |
| cas-inchi | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=RJKFOVLPORLFTN-LEKSSAKUSA-N None | Legacy Database |
| cas-melting-point | 127-131 °C None | Legacy Database |
| cas-name | Progesterone None | Legacy Database |
| wikipedia-name | Progesterone None | Legacy Database |
| LogP | 4.723500000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 314.46900000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 314.2245802 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 34.14 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 90.88100000000006 | RDKit |
