≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O |
|---|---|
| IUPAC Name | 5,11,17,23,29-pentatert-butylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol |
| InChIKey | HTJNUHSOASZVHV-UHFFFAOYSA-N |
| INCHI | 1S/C55H70O5/c1-51(2,3)41-21-31-16-33-23-42(52(4,5)6)25-35(47(33)57)18-37-27-44(54(10,11)12)29-39(49(37)59)20-40-30-45(55(13,14)15)28-38(50(40)60)19-36-26-43(53(7,8)9)24-34(48(36)58)17-32(22-41)46(31)56/h21-30,56-60H,16-20H2,1-15H3 |
| Isomeric SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)O |
| PubChem CID | 2725100 |
| Molecular Weight | 811.16 |
| Reaxy-Rn | 5234242 |
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 | Benzenoids |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenoids |
| Alternative Parents | Polyols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzenoid - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2513596 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513597 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513601 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513603 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513604 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513607 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513626 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| F2513627 | Certificate of Analysis | Jun 03, 2025 | T162642 |
| E2513448 | Certificate of Analysis | Dec 30, 2024 | T162642 |
| Molecular Weight | 811.100 g/mol |
|---|---|
| XLogP3 | 16.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 810.522 Da |
| Monoisotopic Mass | 810.522 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1080.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
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