55199-72-9

Basic information

• Product Name: 18ALPHA(H)-22,29,30-TRISNORNEOHOPANE
• Synonyms: 18ALPHA(H)-22,29,30-TRISNORNEOHOPANE
• CAS NO: 55199-72-9
• Molecular Formula: C27H46
• Molecular Weight: 370.66
• Mol File: 55199-72-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 424.4 °C at 760 mmHg
• Flash Point: 201.7 °C
• Appearance: /
• Density: 0.94 g/cm³
• Vapor Pressure: 5.11E-07mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: 18ALPHA(H)-22,29,30-TRISNORNEOHOPANE(CAS DataBase Reference)
• NIST Chemistry Reference: 18ALPHA(H)-22,29,30-TRISNORNEOHOPANE(55199-72-9)
• EPA Substance Registry System: 18ALPHA(H)-22,29,30-TRISNORNEOHOPANE(55199-72-9)

Safety Data

• Hazardous Substances Data: 55199-72-9(Hazardous Substances Data)

Usage

Triterpane biomarker

A type of organic compound that is commonly used in the petroleum industry for the identification and characterization of crude oils and source rocks.

Derived from degradation of organic matter

This compound is formed through the breakdown of organic matter, such as plant and animal material, over time.

Unique carbon skeleton

The carbon atoms in this compound are arranged in a specific way, forming a unique structure composed of four six-membered hydrocarbon rings.

Geochemical fingerprint

This compound can be used as a fingerprint to determine the origin and thermal maturity of petroleum fluids, as well as to assess the effectiveness of hydrocarbon migration and the potential for oil and gas accumulation in different geological formations.

Provides information about depositional environment and organic matter sources

By analyzing the composition of this compound, scientists can gain valuable insights into the depositional environment and the types of organic matter that were present in sedimentary basins.

InChI:InChI=1/C27H46/c1-23(2)13-8-15-25(4)21(23)12-16-27(6)22(25)11-10-20-19-9-7-14-24(19,3)17-18-26(20,27)5/h19-22H,7-18H2,1-6H3

Upstream product

• 95999-10-3 (3aR,5aR,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-Hexamethyl-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysene 
• 107638-36-8 20,29,30-trinor-18β-lup-21-ene 
• 107638-33-5 N-((1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-Hexamethyl-icosahydro-cyclopenta[a]chrysen-1-yl)-acetamide 
• 107638-34-6 (3aS,5aR,5bR,7aS,11aS,11bR,13bR)-3a,5a,5b,8,8,11a-Hexamethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-3H-cyclopenta[a]chrysene 
• 107638-37-9 20,29,30-trinor-18β-lupan-21-one 
• 107638-41-5 (3aS,5aR,5bR,7aS,11aS,11bR,13bS)-2-Chloro-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-cyclopenta[a]chrysene 
• 107638-35-7 20,29,30-trinorlup-18-en-21-one 

Relevant articles and documents

PREPARATION OF C(18)-EPIMERIC 20,29,30-TRINORLUPANE DERIVATIVES. 1H, 13C NMR AND MASS SPECTRA

Reaction of amide I with nitrous acid give the olefins II, III and IV.On allylic oxidation of olefin IV α,β-unsaturated ketone V is formed from which olefins VIII and IX were prepared by a sequence of further reactions.Addition of hydrogen to the double bond of olefin IV and α,β-unsaturated ketone V takes place on catalytic hydrogenation from the β-side and leads to the derivatives with cis-annellated rings D/E.This made the preparation of hydrocarbons VI and VII epimeric on C(18) possible, which represent reference compounds for the study of the effect of substituents on the chemical shifts of the methyl groups and the saturated carbon atoms of 18αH and 18βH-lupane derivatives.The configuration of the hydroxyl group in epimers XI and XII were derived from 1H NMR spectra.Deuteration of olefins III, IV and IX gave deuteriohydrocarbons XVI to XVIII.The 1H, 13C NMR and mass spectra of the substances prepared are discussed.