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Chivosazole A

View entire compound with spectra: 1 MS (GC)

Chivosazole A
SpectraBase Compound ID BkGtg7oGpHR
InChI InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,44-,45?,46+,47-,49+/m1/s1
InChIKey OVMUGRSUGHRYEC-VJDNGFIESA-N
Mol Weight 866.1 g/mol
Molecular Formula C49H71NO12
Exact Mass 865.497627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpoWR4jzKDC
Name Chivosazole A
Alternate Name(s) (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(2,4-dihydroxy-1-methyl-pentyl)-26-hydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-28-methoxy-7,9,19,29-tetramethyl-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-hydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-28-methoxy-7,9,19,29-tetramethyl-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-hydroxy-6-[[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxy]-28-methoxy-7,9,19,29-tetramethyl-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]-6-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-28-methoxy-7,9,19,29-tetramethyl-26-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 C49H71NO12
InChI InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,44-,45?,46+,47-,49+/m1/s1
InChIKey OVMUGRSUGHRYEC-VJDNGFIESA-N
Molecular Weight 866.102 g/mol
SMILES O[C@]1([C@@]([C@]([C@](OC2\C=C/C=C/c3nc(C(C(CC(\C=C\C=C\C=C/C(C(C(C(CC(O)C)O)C)OC(\C=C/C=C/C=C\C(=C\C2C)C)=O)C)O)OC)C)oc3)(O[C@@]1(C)[H])[H])(OC)[H])(OC)[H])[H]
SPLASH splash10-00di-0905407060-2da56c21894317ce2c5e
Source of Spectrum U-1997-1731-1
Wiley ID 770084