≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal 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=C4C3(CCC(C4)Br)C)C |
|---|---|
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-3-bromo-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]phenanthrene |
| InChIKey | WDRGNJZPWVRVSN-DPAQBDIFSA-N |
| INCHI | 1S/C27H45Br/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,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=C4[C@@]3(CC[C@@H](C4)Br)C)C |
| Molecular Weight | 449.56 |
| Reaxy-Rn | 3408264 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3408264&ln= |
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 | Cholestane steroids |
| Alternative Parents | Halogenated steroids Delta-5-steroids Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Cholestane-skeleton - Halo-steroid - 3-halo-steroid - Delta-5-steroid - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton. |
| External Descriptors | Not available |
| Sensitivity | air sensitive |
|---|---|
| Specific Rotation[α] | [α]D -17° (C=1,Toluene) |
| Melt Point(°C) | 98℃ |
| Molecular Weight | 449.500 g/mol |
| XLogP3 | 10.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.27 Da |
| Monoisotopic Mass | 448.27 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 591.000 |
| 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 |
E2519037