16-Dehydroprogesterone - 10mM in DMSO , CAS No.1096-38-4

CAS: 1096-38-4 Cat. No.: D420573 Formule: C₂₁H₂₈O₂ Poids moléculaire: 312.45 Numéro CE: 214-142-8

GRADE & PURITY 10mM in DMSO

Synonyms

16-Dehydroprogesterone|Pregna-4,16-diene-3,20-dione|1096-38-4|16,17-Didehydroprogesterone|3,20-Dioxopregna-4,16-diene|4,16-Pregnadiene-3,20-dione|.DELTA.16-Progesterone|NSC 11037|16-?Dehydroprogesterone|delta4,16-Pregnadiene-3,20-dione|JU0YQ9DZ2O|Delta(4,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

16-Dehydroprogesterone is a chemical derived from a progesterone.

Specifications

Synonymes

16-Dehydroprogesterone | Pregna-4,16-diene-3,20-dione | 1096-38-4 | 16,17-Didehydroprogesterone | 3,20-Dioxopregna-4,16-diene | 4,16-Pregnadiene-3,20-dione | .DELTA.16-Progesterone | NSC 11037 | 16-?Dehydroprogesterone | delta4,16-Pregnadiene-3,20-dione | JU0YQ9DZ2O | Delta(4,

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

16-Dehydroprogesterone is a chemical derived from a progesterone.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528754877
• Sourires canoniques: CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• IUPAC Name: (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
• InChIKey: VRRHHTISESGZFN-RKFFNLMFSA-N
• INCHI: 1S/C21H28O2/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/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
• Isomères SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Poids moléculaire: 312.45
• Reaxy-Rn: 2061766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061766&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Oxosteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Oxosteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: 20-oxosteroids
• Alternative Parents: Androgens and derivatives 3-oxosteroids Cyclohexenones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 20-oxosteroid - Androgen-skeleton - Androstane-skeleton - 3-oxosteroid - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
• External Descriptors: C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 312.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 312.209 Da
• Monoisotopic Mass: 312.209 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 640.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1