| Identification |
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| Common Name | Lanatoside D |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | Not Available |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C49H76O21 |
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| Average Molecular Mass | 1001.126 g/mol |
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| Monoisotopic Mass | 1000.488 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-2-methyl-6-[[(8R,9S,10S,12R,13S,14S,16S,17R)-12,14,16-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate |
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| Traditional Name | Not Available |
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| SMILES | C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)OC1CC[C@@]2(C)C(CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H]([C@@H](O)C[C@]32O)C2=CC(=O)OC2)C1 |
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| InChI Identifier | InChI=1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21+,22-,25-,26-,27-,28+,29-,30+,31+,32+,33+,34-,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,46+,47+,48-,49-/m0/s1 |
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| InChI Key | CMJNCFRBMBTRSY-CRXYFKOTSA-N |
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