for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 5.1 |
|---|
| Canonical Smiles | COCO[C@H]1[C@@]2([H])[C@@]3([H])[C@@](CC[C@]2([H])[C@]4(C)C(=CC(=O)CC4)C1)(C)[C@]([C@H](C)CCC(=O)OC)([H])CC3 |
|---|---|
| IUPAC Name | methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-(methoxymethoxy)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| InChIKey | JYIDECZSCQDTCO-KLXYUPRBSA-N |
| INCHI | 1S/C27H42O5/c1-17(6-9-24(29)31-5)20-7-8-21-25-22(11-13-27(20,21)3)26(2)12-10-19(28)14-18(26)15-23(25)32-16-30-4/h14,17,20-23,25H,6-13,15-16H2,1-5H3/t17-,20-,21+,22+,23-,25+,26+,27-/m1/s1 |
| Isomeric SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)OCOC)C |
| PubChem CID | 11351323 |
| Molecular Weight | 446.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bile acids, alcohols and derivatives |
| Alternative Parents | 3-oxo delta-4-steroids Delta-4-steroids Fatty acid methyl esters Cyclohexenones Methyl esters Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Bile acid, alcohol, or derivatives - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aldehyde - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid. |
| External Descriptors | Not available |
![methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-(methoxymethoxy)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate - CAS No(610313-90-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/6/M669817.jpg)