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

CAS: 1096-38-4 Cat. No.: D420573 Peso molecular: 312.45 Número EC: 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

Descripción general

Information

16-Dehydroprogesterone is a chemical derived from a progesterone.

Specifications

Sinónimos

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,

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

16-Dehydroprogesterone is a chemical derived from a progesterone.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Peso molecular: 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
    • Clase Steroids and steroid derivatives
      • Subclass Oxosteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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