| Pubchem Sid | 504772026 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772026 |
| Sonrisas canónicas | CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O |
| IUPAC Name | (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one |
| InChIKey | QNBLVYVBWDIWDM-BSLJOXIBSA-N |
| INCHI | 1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1 |
| Isómeros SMILES | C[C@@]1([C@@H]2C[C@@H](CC[C@@]([C@H]2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Peso molecular | 448.5 |
| Reaxy-Rn | 56990725 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56990725&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 |
| Clase | Prenol lipids |
| Subclass | Terpene glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Terpene glycosides |
| Alternative Parents | Guaianes Hexoses O-glycosyl compounds Oxanes Acyloins Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Terpene glycoside - Guaiane sesquiterpenoid - Sesquiterpenoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Acyloin - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C2619093 | Certificate of Analysis | Mar 30, 2026 | A350928 |
| B2223200 | Certificate of Analysis | Dec 17, 2024 | A350928 |
| B2223326 | Certificate of Analysis | Dec 17, 2024 | A350928 |
| B2223327 | Certificate of Analysis | Dec 17, 2024 | A350928 |
| Punto de fusión (°C) | 224-226° C |
|---|---|
| Peso molecular | 448.500 g/mol |
| XLogP3 | -2.200 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.231 Da |
| Monoisotopic Mass | 448.231 Da |
| Topological Polar Surface Area | 177.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 671.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
