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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 | CCCCCCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
|---|---|
| IUPAC Name | [(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] nonyl carbonate |
| InChIKey | CLVJSPXXNWCOJH-IATSNXCDSA-N |
| INCHI | 1S/C37H64O3/c1-7-8-9-10-11-12-13-25-39-35(38)40-30-21-23-36(5)29(26-30)17-18-31-33-20-19-32(28(4)16-14-15-27(2)3)37(33,6)24-22-34(31)36/h17,27-28,30-34H,7-16,18-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m1/s1 |
| Isomeric SMILES | CCCCCCCCCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| PubChem CID | 44630088 |
| Molecular Weight | 556.92 |
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 | Cholestane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholesterols and derivatives |
| Alternative Parents | Delta-5-steroids Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Cholesterol - Delta-5-steroid - Carbonic acid diester - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 |
| Molecular Weight | 556.900 g/mol |
|---|---|
| XLogP3 | 13.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 16 |
| Exact Mass | 556.486 Da |
| Monoisotopic Mass | 556.486 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 831.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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 |
