Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C |
|---|---|
| IUPAC Name | (9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate |
| InChIKey | DJQLJZNVICMJRV-UHFFFAOYSA-N |
| INCHI | 1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3 |
| Isomeric SMILES | CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C |
| Alternate CAS | 28957-08-6 |
| PubChem CID | 429192 |
| NSC Number | 250683 |
| MeSH Entry Terms | lasiokaurin |
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 | Prenol lipids |
| Subclass | Diterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Kaurane diterpenoids |
| Alternative Parents | Oxanes Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Kaurane diterpenoid - Oxane - Cyclic alcohol - Carboxylic acid ester - Hemiacetal - Ketone - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. |
| External Descriptors | Not available |
| Molecular Weight | 406.500 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 406.199 Da |
| Monoisotopic Mass | 406.199 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |