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Basic Description
| Synonyms | AS-56149 | AKOS016009011 | Harpagide | (1S,4aS,5R,7S)-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,7a-tetrahydrocyclopenta[c]pyran-4a,5,7(1H)-triol | MFCD00017306 | (1S,4As,5R,7S)-7-methyl-1-[(2S,3R,4 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Terpene glycosides
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Terpene glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iridoid O-glycosides |
| Alternative Parents | Hexoses O-glycosyl compounds Iridoids and derivatives Bicyclic monoterpenoids Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Iridoid o-glycoside - Hexose monosaccharide - O-glycosyl compound - Iridoid-skeleton - Glycosyl compound - Monoterpenoid - Bicyclic monoterpenoid - Oxane - Monosaccharide - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504765215 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765215 |
| IUPAC Name | (1S,4aS,5R,7S)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol |
| INCHI | InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11?,12+,13+,14+,15-/m1/s1 |
| InChIKey | XUWSHXDEJOOIND-ZATIHQEFSA-N |
| Smiles | CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| Isomeric SMILES | C[C@@]1(C[C@H]([C@]2(C1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O |
| Molecular Weight | 364.35 |
| Reaxy-Rn | 37873016 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37873016&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2526071 |
Certificate of Analysis | Jun 21, 2022 | H331596 |
| J2214496 |
Certificate of Analysis | Jun 21, 2022 | H331596 |
| J2214455 |
Certificate of Analysis | Jun 21, 2022 | H331596 |
| J2214485 |
Certificate of Analysis | Jun 21, 2022 | H331596 |
Chemical and Physical Properties
| Sensitivity | light sensitive |
|---|---|
| Refractive Index | n20D1.66 (Predicted) |
| Boil Point(°C) | ~637.1° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 120-130° C |
| Molecular Weight | 364.340 g/mol |
| XLogP3 | -3.300 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 364.137 Da |
| Monoisotopic Mass | 364.137 Da |
| Topological Polar Surface Area | 169.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 528.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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