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Molecule
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 Mass
- 314.47 g/mol
Identifiers
CAS Registry Number
57-83-0
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key
RJKFOVLPORLFTN-LEKSSAKUSA-N
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
Names and Synonyms
- Progesterone Synonym
- Pregn-4-ene-3,20-dione Synonym
- Progesterone Synonym
- Corlutin Synonym
- Corlutina Synonym
- Corluvite Synonym
- Corporin Synonym
- Corpus luteum hormone Synonym
- Flavolutan Synonym
- Fologenon Synonym
- Gestone Synonym
- Gestormone Synonym
- Glanducorpin Synonym
- Hormoflaveine Synonym
- Hormoluton Synonym
- Luteal Hormone Synonym
- Luteinique Synonym
- Luteodyn Synonym
- Luteogan Synonym
- Luteohormone Synonym
- Luteosan Synonym
- Luteostab Synonym
- Luteovis Synonym
- Lutex Synonym
- Lutidon Synonym
- Lutocyclin Synonym
- Lutocyclin M Synonym
- Lutocylin Synonym
- Lutoform Synonym
- Lutogyl Synonym
- Lutren Synonym
- Lutromone Synonym
- Piaponon Synonym
- Primolut Synonym
- Progekan Synonym
- Progesterol Synonym
- Progestin Synonym
- Progestone Synonym
- Prolidon Synonym
- Luteol Synonym
- Syntolutan Synonym
- Proluton Synonym
- Agolutin Synonym
- Lucorteum Sol Synonym
- Gestron Synonym
- Percutacrine Luteinique Synonym
- Lipo-Lutin Synonym
- Nalutron Synonym
- Progestron Synonym
- Luteopur Synonym
- Bio-luton Synonym
- Gynlutin Synonym
- Gynolutone Synonym
- Gesterol Synonym
- Luteocrin normale Synonym
- Syngestrets Synonym
- Prolets Synonym
- Lutin Synonym
- Lutociclina Synonym
- Protormone Synonym
- Progestasert Synonym
- Vitarrine Synonym
- Δ4-Pregnene-3,20-dione Synonym
- Utrogestan Synonym
- Luteum Synonym
- U 3672 Synonym
- Crinone Synonym
- Progestogel Synonym
- Lugesteron Synonym
- Prontogest Synonym
- Prometrium Synonym
- Utrogest Synonym
- Cyclogest Synonym
- Syngesterone Synonym
- Progestol Synonym
- Gestiron Synonym
- Lutocuclin M Synonym
- Progeston Synonym
- NSC 64377 Synonym
- NSC 9704 Synonym
- Progeffik Synonym
- Progestan Synonym
- Duraprogen Synonym
- CIDR Synonym
- Estima Synonym
- Prochieve Synonym
- Endometrin Synonym
- Minagest Synonym
- Microgest Synonym
- Lugesterone Synonym
- EAZI-BREED CIDR Synonym
- 4-Pregnene-3,20-dione Synonym
- P4 Synonym
- Luteosterone Synonym
- Sincrogest Synonym
- Lutinus Synonym
- Cue-Mate Synonym
- Progeffik 200 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.47 g/mol | CAS Common Chemistry |
| 314.46900000000005 g/mol | RDKit | |
| 314.469 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.166 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Progesterone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RJKFOVLPORLFTN-LEKSSAKUSA-N | CAS Common Chemistry |
| Melting Point | 127-131 °C | CAS Common Chemistry |
| Name | Progesterone | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 4.723500000000005 | RDKit |
| 4.7235 | RDKit | |
| Molar Refractivity | 90.88100000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 314.2245802 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 314.47 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30O2.
