16-Dehydroprogesterone - ≥96% , CAS No.1096-38-4

CAS: 1096-38-4 Cat. No.: D413411 Fórmula: C₂₁H₂₈O₂ Peso molecular: 312.45 Número EC: 214-142-8

CALIDAD & PUREZA ≥96%

Synonyms

LMST02030163 | 16-Dehydroprogesterone, 97% | Temazepamum (INN-Latin) | D4,16-Pregnadiene-3,20-dione | delta.16-Progesterone | NSC9785 | NSC-9785 | .DELTA.4,16-Pregnadiene-3,20-dione | D16-Progesterone | Pregna-4,16-diene-3,20-dione | N(sub 1)-(2-Tetrahydr

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

16-Dehydroprogesterone is a chemical derived from a progesterone.

Especificaciones

Sinónimos

LMST02030163 | 16-Dehydroprogesterone, 97% | Temazepamum (INN-Latin) | D4,16-Pregnadiene-3,20-dione | delta.16-Progesterone | NSC9785 | NSC-9785 | .DELTA.4,16-Pregnadiene-3,20-dione | D16-Progesterone | Pregna-4,16-diene-3,20-dione | N(sub 1)-(2-Tetrahydr

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

16-Dehydroprogesterone is a chemical derived from a progesterone.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

504756504

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756504

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

• Sensibilidad: Light sensitive
• 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