| Identification |
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| Common Name | Gitaloxin |
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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 | C42H64O15 |
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| Average Molecular Mass | 808.959 g/mol |
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| Monoisotopic Mass | 808.425 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(4S,5S,6R)-5-[(4S,5S,6R)-5-[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-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-16-yl] formate |
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| Traditional Name | Not Available |
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| SMILES | C[C@H]1OC(C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)CC(O[C@H]2[C@@H](O)CC(O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H]([C@H](C[C@]54O)OC=O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |
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| InChI Identifier | InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3/t20-,21+,22+,24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+/m0/s1 |
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| InChI Key | GZZJHPZDXZCDDA-VMGZCELCSA-N |
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