6-Dehydronandrolone Acetate - ≥98% , CAS No.2590-41-2

CAS: 2590-41-2 Cat. No.: D404097 분자식: C₂₀H₂₆O₃ EC 번호: 643-000-1

GRADE & PURITY ≥98%

Synonyms

Q-102810 | AKOS015895689 | (17beta)-3-Oxoestra-4,6-dien-17-yl acetate | MFCD00271529 | [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | 6-Dehydronandrolone acetate | (17 beta)-17-(a

Storage

Room temperature

Specifications

동의어

Q-102810 | AKOS015895689 | (17beta)-3-Oxoestra-4,6-dien-17-yl acetate | MFCD00271529 | [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate | 6-Dehydronandrolone acetate | (17 beta)-17-(a

사양 및 순도

≥98%

보관 조건

Room temperature

작업 유형

ANTAGONIST

순수함

≥98%

이름과 식별자

Pubchem Sid

488197151

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197151

정식 스마일

CC(=O)OC1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34)C

IUPAC Name

[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

InChIKey

OGUASZAAVFYYIL-XGXHKTLJSA-N

INCHI

1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,11,15-19H,4,6-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

이성체 SMILES

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C

Reaxy-Rn

3425278

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3425278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Estrogens and derivatives 3-oxosteroids Cyclohexenones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Steroid ester - Estrogen-skeleton - Oxosteroid - Estrane-skeleton - 3-oxosteroid - Cyclohexenone - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 녹는점(°C): 106.0-110.0 °C
• 분자량: 314.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 314.188 Da
• Monoisotopic Mass: 314.188 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 602.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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