Hecogenin Acetate - ≥90% , CAS No.915-35-5

CAS: 915-35-5 Cat. No.: H354833 Fórmula: C₂₉H₄₄O₅ Peso molecular: 472.67 Número EC: 213-021-7 PubChem CID: 101906

GRADE & PURITY ≥90%

Synonyms

BDBM50216627 | Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)- | Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)- | 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)- | 12-Oxo-5-alpha-spirostan-3-beta-yl acetate | 5.ALPHA.,25D-SPI

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BDBM50216627 | Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)- | Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)- | 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)- | 12-Oxo-5-alpha-spirostan-3-beta-yl acetate | 5.ALPHA.,25D-SPI

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

Pubchem Sid

504756500

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756500

Sonrisas canónicas

CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1

IUPAC Name

[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate

InChIKey

CVKZWRTYHCDWTE-RSEFXUKDSA-N

INCHI

1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

Isómeros SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)OC1

WGK Alemania

3

PubChem CID

101906

Número ONU

3077

Grupo de embalaje

III

Peso molecular

472.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Spirostanes and derivatives Steroid esters Oxosteroids Ketals Oxanes Tetrahydrofurans Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Spirostane skeleton - Steroid ester - 12-oxosteroid - Oxosteroid - Steroid - Ketal - Oxane - Tetrahydrofuran - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Objetivos asociados (humanos)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly miscible), and chloroform (100 mg/ml).
• Índice de refracción: n20D1.55
• Rotación específica [α]: α20/D -4°±1°, c = 1 in Dioxane
• Punto de ebullición (°C): 557.5° C at 760 mmHg
• Punto de fusión (°C): 246-248° C (lit.)(dec.)
• Peso molecular: 472.700 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 472.319 Da
• Monoisotopic Mass: 472.319 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 871.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 915-35-5, the molecular formula is C29H44O5, and the molecular weight is 472.67 g/mol. InChIKey CVKZWRTYHCDWTE-RSEFXUKDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.