Podecdysone B - ≥98% , CAS No.22612-27-7

CAS: 22612-27-7 Cat. No.: P650007 Molecular Weight: 462.62 PubChem CID: 441831

GRADE & PURITY ≥98%

Synonyms

Podecdysone B | CHEBI:28688 | (22R)-2beta,3beta,20,22,25-pentahydroxy-5beta-cholesta-8,14-dien-6-one | AKOS040740873 | Q27103838 | (2S,3R,5R,10S,13R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,7,11,12,16,1

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Podecdysone B is a phytoecdysone isolated from Cyanotis arachnoidea

Form:Solid

IC50& Target:IC50: Phytoecdysone

Specifications

Synonyms

Podecdysone B | CHEBI:28688 | (22R)-2beta, 3beta, 20, 22, 25-pentahydroxy-5beta-cholesta-8, 14-dien-6-one | AKOS040740873 | Q27103838 | (2S, 3R, 5R, 10S, 13R, 17S)-2, 3-dihydroxy-10, 13-dimethyl-17-[(2R, 3R)-2, 3, 6-trihydroxy-6-methylheptan-2-yl]-1, 2, 3, 4, 5, 7, 11, 12, 16, 1

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Podecdysone B is a phytoecdysone isolated from Cyanotis arachnoidea.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC12CCC3=C(C1=CCC2C(C)(C(CCC(C)(C)O)O)O)CC(=O)C4C3(CC(C(C4)O)O)C
• IUPAC Name: (2S,3R,5R,10S,13R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-one
• InChIKey: AEFMTBQZWMUASH-IILZZRPCSA-N
• INCHI: 1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1
• Isomeric SMILES: C[C@]12CCC3=C(C1=CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C
• Alternate CAS: 22612-27-7
• PubChem CID: 441831
• Molecular Weight: 462.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives
        • Level5 Hydroxy bile acids, alcohols and derivatives
          • Level6 Pentahydroxy bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Hydroxy bile acids, alcohols and derivatives
• Direct Parent: Pentahydroxy bile acids, alcohols and derivatives
• Alternative Parents: Cholesterols and derivatives 6-oxosteroids 3-beta-hydroxysteroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesterol-skeleton - Pentahydroxy bile acid, alcohol, or derivatives - Cholestane-skeleton - 25-hydroxysteroid - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - Oxosteroid - 6-oxosteroid - 3-beta-hydroxysteroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
• External Descriptors: cholestane

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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (216.16 mM; Need ultrasonic)
• Molecular Weight: 462.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 462.298 Da
• Monoisotopic Mass: 462.298 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 889.000
• 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