analytical standard, ≥98% Analytical standard 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 | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CC(C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)(C)CO)C)C)O)CO)C |
|---|---|
| IUPAC Name | 2-[[4,5-dihydroxy-6-[[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | HVRAMEAUCOTBHH-UHFFFAOYSA-N |
| INCHI | 1S/C48H78O19/c1-43(2)11-12-48(21-52)24(14-43)23-7-8-28-45(4)10-9-22(13-29(45)44(3,20-51)19-47(28,6)46(23,5)15-30(48)53)63-41-38(61)35(58)39(67-42-37(60)34(57)32(55)26(17-50)65-42)27(66-41)18-62-40-36(59)33(56)31(54)25(16-49)64-40/h7-8,22,25-42,49-61H,9-21H2,1-6H3 |
| Isomeric SMILES | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CC(C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)(C)CO)C)C)O)CO)C |
| PubChem CID | 71571492 |
| Molecular Weight | 959.12 |
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 | Terpene glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diterpene glycosides |
| Alternative Parents | Oligosaccharides Diterpenoids O-glycosyl compounds Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Diterpene glycoside - Oligosaccharide - Diterpenoid - Glycosyl compound - O-glycosyl compound - Oxane - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. |
| External Descriptors | Not available |
| Molecular Weight | 959.100 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 11 |
| Exact Mass | 958.514 Da |
| Monoisotopic Mass | 958.514 Da |
| Topological Polar Surface Area | 318.000 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1830.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 24 |
| 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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