Lucidenic acid D - Moligand™,≥98% , CAS No.98665-16-8

CAS: 98665-16-8 Cat. No.: L664436 Molecular Weight: 514.61

GRADE & PURITY Moligand™, ≥98%

Synonyms

Lucidenic acid D2

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Lucidenic acid D (Lucidenic acid D2) is a highly oxidized lanostane-type triterpenoid, can inhibit the proliferation of HepG2 cells.

Specifications

Synonyms

Lucidenic acid D2

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCC(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)OC(=O)C)C)C
• IUPAC Name: (4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• InChIKey: LTJSBYAKDOGXLX-JTJCPSTFSA-N
• INCHI: 1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C
• Alternate CAS: 98665-16-8
• NSC Number: 733508
• Molecular Weight: 514.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Bile acids, alcohols and derivatives Steroid esters 7-oxosteroids 3-oxo-5-alpha-steroids 14-alpha-methylsteroids 11-oxosteroids Cyclohexenones Alpha-acyloxy ketones Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Bile acid, alcohol, or derivatives - Steroid ester - 3-oxosteroid - 14-alpha-methylsteroid - 11-oxosteroid - 3-oxo-5-alpha-steroid - 7-oxosteroid - Oxosteroid - 15-oxosteroid - Steroid - Cyclohexenone - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Aliphatic homopolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 514.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 514.257 Da
• Monoisotopic Mass: 514.257 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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