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

CAS: 1096-38-4 Cat. No.: D420573 分子式: C₂₁H₂₈O₂ 分子量: 312.45 EC番号: 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

概要

Information

16-Dehydroprogesterone is a chemical derived from a progesterone.

Specifications

同義語

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,

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

16-Dehydroprogesterone is a chemical derived from a progesterone.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528754877
• カノニカル・スマイル: 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
• 異性体SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• 分子量: 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
    • 分類 Steroids and steroid derivatives
      • Subclass Oxosteroids

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

化学的性質と物理的性質

• 分子量: 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