≥98% 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.
| Canonical Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C |
|---|---|
| IUPAC Name | (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| InChIKey | JQMQKOQOLPGBBE-ZNCJEFCDSA-N |
| INCHI | 1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1 |
| Isomeric SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| WGK Germany | 3 |
| PubChem CID | 102008 |
| Molecular Weight | 402.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Cholestane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholesterols and derivatives |
| Alternative Parents | Ecdysteroids 6-oxosteroids 3-beta-hydroxysteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Cholesterol - Cholesterol-skeleton - Ecdysteroid - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-beta-hydroxysteroid - 6-oxosteroid - Cyclic alcohol - Ketone - Secondary alcohol - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core. |
| External Descriptors | Not available |
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| Melt Point(°C) | 138-140 |
|---|---|
| Molecular Weight | 402.700 g/mol |
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.35 Da |
| Monoisotopic Mass | 402.35 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 612.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| 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 |
