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Chivosazole E

View entire compound with spectra: 1 MS (GC)

Chivosazole E
SpectraBase Compound ID 2pt2dcfEeMm
InChI InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39?,41-,42+,43-,44?,46+/m1/s1
InChIKey UMUMBLZPRQHELQ-JMZWMVLASA-N
Mol Weight 824.0 g/mol
Molecular Formula C46H65NO12
Exact Mass 823.450677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg30vcO6pI0
Name Chivosazole E
Alternate Name(s) (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(2,4-dihydroxy-1-methyl-pentyl)-26,28-dihydroxy-7,9,19,29-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17,31-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(32),2,4,8,10,12,14,20,22,24,30(33)-undecaen-16-one (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-26,28-dihydroxy-7,9,19,29-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-17,31-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(32),2,4,8,10,12,14,20,22,24,30(33)-undecaen-16-one (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-26,28-dihydroxy-7,9,19,29-tetramethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-17,31-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(32),2,4,8,10,12,14,20,22,24,30(33)-undecaen-16-one (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-[3,5-bis(oxidanyl)hexan-2-yl]-7,9,19,29-tetramethyl-6-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-26,28-bis(oxidanyl)-17,31-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(32),2,4,8,10,12,14,20,22,24,30(33)-undecaen-16-one
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Formula C46H65NO12
InChI InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39?,41-,42+,43-,44?,46+/m1/s1
InChIKey UMUMBLZPRQHELQ-JMZWMVLASA-N
Molecular Weight 824.021 g/mol
SMILES O[C@@]1([C@]([C@](OC2\C=C/C=C/c3nc(C(C(CC(\C=C\C=C\C=C/C(C(OC(\C=C/C=C/C=C\C(=C\C2C)C)=O)C(C(CC(O)C)O)C)C)O)O)C)oc3)(O[C@@]([C@]1(O)[H])(C)[H])[H])(O)[H])[H]
SPLASH splash10-0229-0905402010-945691d15832f5492dfa
Source of Spectrum U-1997-1731-6
Wiley ID 770079