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(2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-26,28-dihydroxy-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

View entire compound with spectra: 1 MS (GC)

(2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-26,28-dihydroxy-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
SpectraBase Compound ID LkiPnnXhPYX
InChI InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(53)60-44(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-39(52)34(6)46-48-36(28-57-46)21-17-18-23-40(31(3)25-29)59-47-45(56-8)43(55)42(54)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-52,54-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40?,42-,43+,44?,45-,47+/m1/s1
InChIKey NMXXMNHACPJTHY-FBTNBNEASA-N
Mol Weight 838.0 g/mol
Molecular Formula C47H67NO12
Exact Mass 837.466327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZvJHTRgd8C
Name (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-26,28-dihydroxy-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H67NO12
InChI InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(53)60-44(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-39(52)34(6)46-48-36(28-57-46)21-17-18-23-40(31(3)25-29)59-47-45(56-8)43(55)42(54)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-52,54-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40?,42-,43+,44?,45-,47+/m1/s1
InChIKey NMXXMNHACPJTHY-FBTNBNEASA-N
Molecular Weight 838.048 g/mol
SMILES O[C@@]1([C@]([C@](OC2C(\C=C\(\C=C/C=C/C=C\C(OC(C(\C=C/C=C/C=C/C(CC(C(c3nc(\C=C\C=C/2)co3)C)O)O)C)C(C(CC(O)C)O)C)=O)C)C)(O[C@@]([C@]1(O)[H])(C)[H])[H])(OC)[H])[H]
SPLASH splash10-0603-0814307090-d7ea0b6f2728fcd0c591
Source of Spectrum U-1997-1731-5
Synonyms (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-18-(3,5-dihydroxyhexan-2-yl)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl]oxy]-26,28-dihydroxy-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,5S,6R)-3-methoxy-6-methyl-4,5-bis(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 (2E,4Z,8E,10Z,12E,14Z,20Z,22E,24E)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-18-(2,4-dihydroxy-1-methyl-pentyl)-26,28-dihydroxy-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
Wiley ID 770080