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

CAS: 1096-38-4 Cat. No.: D420573 Molecular Weight: 312.45 EC Number: 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

Overview

Information

16-Dehydroprogesterone is a chemical derived from a progesterone.

Specifications

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,

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

16-Dehydroprogesterone is a chemical derived from a progesterone.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Molecular Weight: 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
    • Class Steroids and steroid derivatives
      • Subclass Oxosteroids

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

Chemical and Physical Properties

• Molecular Weight: 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