10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
| カノニカル・スマイル | CC(=CCCC(C)(C1C2CCC3C(C2(CC1=O)C)(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)OC6C(C(C(CO6)O)O)O)O)O)CO)C)O)C |
|---|---|
| IUPAC Name | (5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one |
| InChIKey | LKCTWIIDXXXXAR-CYGHALRTSA-N |
| INCHI | 1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1 |
| 異性体SMILES | CC(=CCC[C@@](C)([C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC1=O)C)(CC[C@@H]4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)CO)C)O)C |
| 分子量 | 768.99 |
| Reaxy-Rn | 20743635 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20743635&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 |
| 分類 | Prenol lipids |
| Subclass | Terpene glycosides |
| Intermediate Tree Nodes | Triterpene glycosides |
| Direct Parent | Triterpene saponins |
| Alternative Parents | Triterpenoids Steroidal glycosides 14-alpha-methylsteroids 16-oxosteroids Hydroxysteroids O-glycosyl compounds Disaccharides Oxanes Tertiary alcohols Secondary alcohols Cyclic ketones Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Primary alcohols |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Triterpene saponin - Triterpenoid - Steroidal glycoside - 20-hydroxysteroid - 19-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - 14-alpha-methylsteroid - Oxosteroid - Steroid - O-glycosyl compound - Disaccharide - Glycosyl compound - Oxane - Tertiary alcohol - Cyclic ketone - Ketone - Secondary alcohol - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. |
| External Descriptors | Not available |
| 感度 | Light & Moisture sensitive |
|---|---|
| 分子量 | 769.000 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Exact Mass | 768.466 Da |
| Monoisotopic Mass | 768.466 Da |
| Topological Polar Surface Area | 216.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1390.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 17 |
| 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 |
