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Chivosazole B

View entire compound with spectra: 1 MS (GC)

Chivosazole B
SpectraBase Compound ID BtnQPz3KHAO
InChI InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11+,13-10+,20-14-,21-15-,22-18+,23-16+,24-19-,25-17-,30-26+/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41?,43-,44?,45+,46-,48+/m1/s1
InChIKey FWDYAUGDLMQNBQ-XZXGPIRGSA-N
Mol Weight 852.1 g/mol
Molecular Formula C48H69NO12
Exact Mass 851.481977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4qKK5BQhaq
Name Chivosazole B
Alternate Name(s) (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(2,4-dihydroxy-1-methyl-pentyl)-26,28-dihydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-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)-26,28-dihydroxy-6-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-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)-26,28-dihydroxy-6-[[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxy]-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-7,9,19,29-tetramethyl-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 C48H69NO12
InChI InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11+,13-10+,20-14-,21-15-,22-18+,23-16+,24-19-,25-17-,30-26+/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41?,43-,44?,45+,46-,48+/m1/s1
InChIKey FWDYAUGDLMQNBQ-XZXGPIRGSA-N
Molecular Weight 852.075 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)O)C)oc3)(O[C@@]1(C)[H])[H])(OC)[H])(OC)[H])[H]
SPLASH splash10-05fr-0905406050-dd7a70f5fcd02d4cdae5
Source of Spectrum U-1997-1731-3
Wiley ID 770082