≥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.
| Sonrisas canónicas | CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C(=C(C=C3CC(C1(C)O)C)OC)OC)OC)OC)OC)OC |
|---|---|
| IUPAC Name | [(8S,9S,10S)-9-hydroxy-3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate |
| InChIKey | RHABJANPSGWEFC-MRFZJNLZSA-N |
| INCHI | 1S/C29H38O9/c1-11-15(2)28(30)38-27-18-14-20(33-6)24(35-8)26(37-10)22(18)21-17(12-16(3)29(27,4)31)13-19(32-5)23(34-7)25(21)36-9/h11,13-14,16,27,31H,12H2,1-10H3/b15-11-/t16-,27-,29-/m0/s1 |
| Isómeros SMILES | C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]([C@]1(C)O)C)OC)OC)OC)OC)OC)OC |
| CAS alternativo | 72561-28-5 |
| PubChem CID | 14992071 |
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 | Phenylpropanoids and polyketides |
| Clase | Tannins |
| Subclass | Hydrolyzable tannins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydrolyzable tannins |
| Alternative Parents | Dibenzocyclooctadiene lignans Anisoles Fatty acid esters Alkyl aryl ethers Tertiary alcohols Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. |
| External Descriptors | Not available |
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| Peso molecular | 530.600 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 530.252 Da |
| Monoisotopic Mass | 530.252 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 818.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
