Cholesterol - ≥99% , CAS No.57-88-5

CAS: 57-88-5 Cat. No.: C104032 Formule: C₂₇H₄₆O Poids moléculaire: 386.65 Beilstein Registry Number: 1915888 Numéro CE: 200-353-2

QUALITÉ & PURETÉ ≥99%

Synonyms

3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Cholesterol,(S) | 20-epi-cholesterol | AI3-03112 | 3beta-cholest-5-en-3-ol | 5-Cholesten-3ss--ol | 5:6-Cholesten-3-ol | Lidinit | 3.beta.-Hydr

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Cholesterol,(S) | 20-epi-cholesterol | AI3-03112 | 3beta-cholest-5-en-3-ol | 5-Cholesten-3ss--ol | 5:6-Cholesten-3-ol | Lidinit | 3.beta.-Hydr

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508816266

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816266

Sourires canoniques

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

InChIKey

HVYWMOMLDIMFJA-DPAQBDIFSA-N

INCHI

1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

Isomères SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

WGK Allemagne

1

RTECS

FZ8400000

Poids moléculaire

386.65

Beilstein

1915888

Reaxy-Rn

2060565

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060565&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesterols and derivatives
• Alternative Parents: 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesterol-skeleton - Cholesterol - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
• External Descriptors: Cholesterol and derivatives

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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CYP46A1 Tchem Cholesterol 24-hydroxylase (2 Activities)

Discover Target: CYP46A1

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RORC Tchem Nuclear receptor ROR-gamma (1 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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CYP11A1 Tclin Cytochrome P450 11A1 (1 Activities)

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POLA1 Tclin DNA polymerase alpha subunit (225 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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NPC1L1 Tclin Niemann-Pick C1-like protein 1 (346 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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NR1H3 Tchem LXR-alpha (2891 Activities)

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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SH-SY5Y (11521 Activities)

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SW480 (6023 Activities)

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U-937 (7138 Activities)

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A549 (127892 Activities)

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BJ (6930 Activities)

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T47D (39041 Activities)

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NCI-H69 (709 Activities)

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HCT-116 (91556 Activities)

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KB (17409 Activities)

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MDA-MB-231 (73002 Activities)

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SMMC-7721 (5516 Activities)

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ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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SULT2B1 Tbio Sulfotransferase family cytosolic 2B member 1 (4 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Salmonella typhimurium (15756 Activities)

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Streptococcus pyogenes (16140 Activities)

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Bacillus sp. (164 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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P19 (309 Activities)

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C2C12 (756 Activities)

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Brucella pseudogrignonensis (43 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Rotation spécifique [α]: -37 ° (C=2, Dioxane)
• Point d'ébullition (°C): 360°C
• Point de fusion (°C): 148.5°C
• Poids moléculaire: 386.700 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 386.355 Da
• Monoisotopic Mass: 386.355 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 591.000
• 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