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

CAS: 915-35-5 Cat. No.: H354833 分子式: C₂₉H₄₄O₅ 分子量: 472.67 EC番号: 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

同義語

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

仕様と純度

≥90%

保管条件

Store at 2-8°C

入荷

Wet ice

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。

純度

≥90%

名前と識別子

パブケム・シド

504756500

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体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ドイツ

3

PubChem CID

101906

UN番号

3077

包装グループ

III

分子量

472.67

Taxonomic Classification

Taxonomy Tree

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

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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (partly miscible), and chloroform (100 mg/ml).
• 屈折率: n20D1.55
• 比旋光度［α］: α20/D -4°±1°, c = 1 in Dioxane
• 沸点（°C）: 557.5° C at 760 mmHg
• 融点（°C）: 246-248° C (lit.)(dec.)
• 分子量: 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

よくある質問

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.