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Home › Product Catalog › [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

CAS 70110-50-8C49H76O2MW 697.1

[(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CAS 70110-50-8) — formula C49H76O2, molecular weight 697.1; category organic chemicals.

Product Overview

CAS Number70110-50-8
Molecular FormulaC49H76O2
Molecular Weight697.1
LogP15.5
CategoryOrganic Chemicals

Technical Profile

What this product is

[(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is a carbon-based organic compound with CAS registry number 70110-50-8 and molecular formula C49H76O2 (molecular weight 697.1), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 70110-50-8

Its molecular formula C49H76O2 comprises 49 C, 76 H, 2 O atoms.

Also known as: [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate · [(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?

The CAS registry number of [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is 70110-50-8.

What is the molecular formula and molecular weight of [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?

Molecular formula C49H76O2, molecular weight 697.1.

What other names is [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate known by?

It is also registered under: [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯.

Which category does [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for [(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CAS 70110-50-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号70110-50-8
PubChem CID14274978
分子式C49H76O2
IUPAC 名称[(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-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Computed descriptors

Molecular Weight697.1
XLogP315.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass696.58453166
Monoisotopic Mass696.58453166
Topological Polar Surface Area26.3
Heavy Atom Count51

Synonyms and trade names

DTXSID001314890; 70110-50-8; RefChem:125700; DTXCID001744813; Cholesteryl cervonate; 22:6 Cholesteryl ester; CE(22:6); CE 22:6; Cholesteryl docosahexaenoate; CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)); cholesteryl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate; cholest-5-en-3beta-yl (4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoate); 22:6 Cholesterol ester; SCHEMBL29361940; CHEBI:74102; LMST01020019

What the public record says

[(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯 · CAS 70110-50-8 · C49H76O2.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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中文页面: [(3S,8S,9S,10R,13R,14S,17R)-10,13-二甲基-17-[(2R)-6-甲基庚-2-基]-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊[a]菲-3-基] (4Z,7Z,10Z,13Z,16Z,19Z)-二十二碳六烯酸-4,7,10,13,16,19-己烯酸酯

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