Determine the necessary mass, volume, or concentration for preparing a solution.
solid for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Description
Chemical structure: peptide
| pKa | pKa: 8.53 (Predicted) |
|---|
| Sorrisi canonici | CC1CCC2C(C(C(C(O2)C3=C(C(=O)C(=C4C3=CC(O4)(C(CC(CC(=C1)C)C)C)O)C)O)C)O)C |
|---|---|
| IUPAC Name | (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one |
| InChIKey | HKLDUJXJTQJSEJ-OLXNOMCWSA-N |
| INCHI | 1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22,24,28,30,32-33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,24-,28+,29+/m0/s1 |
| Isomeri SMILES | C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4C3=C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C |
| PubChem CID | 5472093 |
| Peso molecolare | 486.64 |
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 | Organoheterocyclic compounds |
| Classe | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Oxanes Vinylogous esters Dihydrofurans Secondary alcohols Hemiacetals Cyclic ketones Polyols Oxacyclic compounds Enols Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Benzofuran - Oxane - Dihydrofuran - Vinylogous ester - Hemiacetal - Ketone - Secondary alcohol - Cyclic ketone - Ether - Enol - Dialkyl ether - Polyol - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Indice di rifrazione | n20D1.58 (Predicted) |
|---|---|
| Punto di ebollizione (°C) | 678.49° C at 760 mmHg (Predicted) |
| Punto di fusione (°C) | 270.93° C (Predicted) |
| Peso molecolare | 486.600 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 486.298 Da |
| Monoisotopic Mass | 486.298 Da |
| Topological Polar Surface Area | 96.200 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 1000.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |