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(1R*,5S*,7S*,9S*,13R*,14R*,15R*,11Z)-5-[1',4'-Dimethyl-(E)-hept-5'-enyl]-7,9-(2"-carbonyl-1",3'-dioxy)-1-hydroxy-11,14-dimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl carbamate
SpectraBase Compound ID FTHq3eWtsGw
InChI InChI=1S/C28H43NO9/c1-6-7-16(2)8-9-18(4)22-13-21-12-20(34-27(32)35-21)10-17(3)11-23-19(5)24(37-26(29)31)14-28(33,38-23)15-25(30)36-22/h6-7,11,16,18-24,33H,8-10,12-15H2,1-5H3,(H2,29,31)/b7-6+,17-11-/t16?,18?,19-,20-,21-,22-,23+,24+,28+/m0/s1
InChIKey XSOHOZMISJPRLL-CIPIZUCPSA-N
Mol Weight 537.7 g/mol
Molecular Formula C28H43NO9
Exact Mass 537.293782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA5c48r3fPS
Name (1R*,5S*,7S*,9S*,13R*,14R*,15R*,11Z)-5-[1',4'-Dimethyl-(E)-hept-5'-enyl]-7,9-(2"-carbonyl-1",3'-dioxy)-1-hydroxy-11,14-dimethyl-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl carbamate
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Formula C28H43NO9
InChI InChI=1S/C28H43NO9/c1-6-7-16(2)8-9-18(4)22-13-21-12-20(34-27(32)35-21)10-17(3)11-23-19(5)24(37-26(29)31)14-28(33,38-23)15-25(30)36-22/h6-7,11,16,18-24,33H,8-10,12-15H2,1-5H3,(H2,29,31)/b7-6+,17-11-/t16?,18?,19-,20-,21-,22-,23+,24+,28+/m0/s1
InChIKey XSOHOZMISJPRLL-CIPIZUCPSA-N
Molecular Weight 537.650 g/mol
SMILES NC(O[C@]1([C@]([C@@]2(O[C@@](CC(O[C@@](C[C@]3(OC(O[C@@](C\C(=C/2)C)(C3)[H])=O)[H])(C(CCC(\C=C\C)C)C)[H])=O)(C1)O)[H])(C)[H])[H])=O
SPLASH splash10-0006-9000000000-21f1372b636a8639e1fb
Source of Spectrum H-82-353-7
Wiley ID 815338