Drospirenone 6-ene - ≥95% , CAS No.67372-69-4

CAS: 67372-69-4 Cat. No.: D1281455 Fórmula: C₂₃H₂₈O₃ Peso molecular: 352.47 Número EC: 881-324-7 PubChem CID: 13061887

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CC12CCC(=O)C=C1C=CC3C2CCC4(C3C5CC5C46CCC(=O)O6)C

IUPAC Name

(1'R,2'S,3'S,5S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione

InChIKey

OMQDQOBQNOHRKO-PJPXKQQPSA-N

INCHI

1S/C23H28O3/c1-21-8-5-14(24)11-13(21)3-4-15-17(21)6-9-22(2)20(15)16-12-18(16)23(22)10-7-19(25)26-23/h3-4,11,15-18,20H,5-10,12H2,1-2H3/t15-,16-,17+,18+,20-,21+,22+,23+/m1/s1

Isómeros SMILES

C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C

PubChem CID

13061887

Peso molecular

352.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid lactones
• Alternative Parents: 3-oxosteroids Cyclohexenones Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroid lactone - 3-oxosteroid - Oxosteroid - Cyclohexenone - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.
• 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

Propiedades químicas y físicas

• Peso molecular: 352.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 352.204 Da
• Monoisotopic Mass: 352.204 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 793.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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