Pregnenolone Acetate - ≥99% , CAS No.1778-02-5

CAS: 1778-02-5 Cat. No.: P579499 Formula: C₂₃H₃₄O₃ Peso molecolare: 358.52 Beilstein Registry Number: 2062850 Numero EC: 217-212-6 PubChem CID: 2723722

GRADE & PURITY ≥99%

Synonyms

NCGC00166271-02 | Pregn-5-en-20-one, 3-(acetyloxy)-, (3.beta.)- | DTXCID6028868 | UNII-0G0WWV404B | SMP1_000246 | AKOS015895364 | DB14626 | Enescorb | NSC 64827 | Pregnenolone-3-acetate | 5-Pregnenolone acetate | CHEBI:34930 | CAS-1778-02-5 | PREGNENOLONE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

NCGC00166271-02 | Pregn-5-en-20-one, 3-(acetyloxy)-, (3.beta.)- | DTXCID6028868 | UNII-0G0WWV404B | SMP1_000246 | AKOS015895364 | DB14626 | Enescorb | NSC 64827 | Pregnenolone-3-acetate | 5-Pregnenolone acetate | CHEBI:34930 | CAS-1778-02-5 | PREGNENOLONE

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
• IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• InChIKey: CRRKVZVYZQXICQ-RJJCNJEVSA-N
• INCHI: 1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
• Isomeri SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
• WGK Germania: 3
• PubChem CID: 2723722
• Peso molecolare: 358.52
• Beilstein: 2062850

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Pregnane steroids 20-oxosteroids Delta-5-steroids Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pregnane-skeleton - Steroid ester - 20-oxosteroid - Oxosteroid - Delta-5-steroid - 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
• Descrizione: 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: steroid ester

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: H2O: Insoluble；DMSO: Insoluble( < 1 mg/ml refers to the product slightly soluble or insoluble )
• Rotazione specifica [α]: [α]D 20° (C=1,EtOH)
• Punto di fusione (°C): 151 °C
• Peso molecolare: 358.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 358.251 Da
• Monoisotopic Mass: 358.251 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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