Pennogenin - Moligand™, ≥98% , CAS No.507-89-1

CAS: 507-89-1 Cat. No.: P648279 Summenformel: C₂₇H₄₂O₄ Molekulargewicht: 430.62 PubChem CID: 12314056

GRADE & PURITY Moligand™, ≥98%

Synonyms

(25R)-spirost-5-en-3beta,17alpha-diol | Pennogenin | (25R)-spirost-5-ene-3beta,17-diol | CHEBI:71824 | DTXSID80903924 | (3beta,25R)-spirost-5-en-3,17-diol | Q27139820 | AKOS040750458 | MS-27660 | (1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethy

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Übersicht

Specifications

Synonyme

(25R)-spirost-5-en-3beta,17alpha-diol | Pennogenin | (25R)-spirost-5-ene-3beta,17-diol | CHEBI:71824 | DTXSID80903924 | (3beta,25R)-spirost-5-en-3,17-diol | Q27139820 | AKOS040750458 | MS-27660 | (1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethy

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Pennogenin is a natural product,， Pennogenin exhibits significant in vitro inhibitory effect on release of ROS.

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)OC1

IUPAC Name

(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,16-diol

InChIKey

SYYHBUHOUUETMI-WJOMMTHPSA-N

INCHI

1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1

Isomere SMILES

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

PubChem CID

12314056

Molekulargewicht

430.62

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Spirostanes and derivatives 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids 17-hydroxysteroids Delta-5-steroids Ketals Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Spirostane skeleton - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - 3-beta-hydroxysteroid - 17-hydroxysteroid - Steroid - Delta-5-steroid - Ketal - Oxane - Monosaccharide - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Spirostanols 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive；Light sensitive；
• Molekulargewicht: 430.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 430.308 Da
• Monoisotopic Mass: 430.308 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 794.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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