Synonym
                                        Cytovaricin; BRN4226438; BRN-4226438; BRN 4226438
                                     
                                    
                                        IUPAC/Chemical Name
                                        COMPOUND SUMMARY
CID 6436235
PubChem CID	6436235
Structure	
CID 6436235_small.png
Find Similar Structures
Molecular Formula	C47H80O16
Synonyms	
Cytovaricin
NSC 349622
BRN 4226438
H-230
79553-45-0
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Molecular Weight	
901.1 g/mol
Dates	
Modify
2021-02-27
Create
2006-04-28
1Structures	HelpNew Window
1.12D Structure	HelpNew Window
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Chemical Structure Depiction
CID 6436235.png
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PubChem
1.23D Status	HelpNew Window
Conformer generation is disallowed since too many atoms
PubChem
2Names and Identifiers	HelpNew Window
2.1Computed Descriptors	HelpNew Window
2.1.1IUPAC Name	HelpNew Window
(1S,3S,5'S,6S,6'S,8S,9E,14R,15R,16S,17R,18S,19S,20R,21E,25S,27R,29R)-3,14,15,17,19,20-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-16-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6,14,18,20,29-hexamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
                                     
                                    
                                        InChi Key
                                        NORZLTHXFWGSAT-TUHQYYMQSA-N
                                     
                                    
                                        InChi Code
                                        InChI=1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36-,38-,39+,40+,41-,42-,43+,44+,45+,46+,47-/m0/s1
                                     
                                    
                                        SMILES Code
                                        CC[C@H](C[C@@H]1O[C@]2(C[C@@H]3OC(/C=C/[C@@](O)([C@H]([C@H]([C@H]([C@@H]([C@H]([C@](O)(CCC/C=C/[C@@H]4C[C@@H](CO[C@]4(C[C@@H]([C@H]3C)O2)O)C)C)O)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O)OC)O)C)O)C)=O)CC[C@@H]1C)O
                                     
                                    
                                    
                                        Purity
                                        >98% (or refer to the Certificate of Analysis)
                                     
                                    
                                        Shipping Condition
                                        Shipped under ambient temperature as non-hazardous chemical.  This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
                                     
                                    
                                        Storage Condition
                                        Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
                                     
                                    
                                        Solubility
                                        Soluble in DMSO
                                     
                                    
                                        Shelf Life
                                        >2 years if stored properly
                                     
                                    
                                        Drug Formulation
                                        This drug may be formulated in DMSO
                                     
                                    
                                        Stock Solution Storage
                                        0 - 4 C for short term (days to weeks), or -20 C for long term (months).
                                     
                                    
                                        HS Tariff Code
                                        2934.99.9001