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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.

External Resources

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

Molar

Property Value Source
Molar Refractivity 90.88100000000006 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

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