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13-ALPHA-HYDROXYTERRACINOLIDE-I;(1R*,2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-13,15-DIHYDROXY-7-ISOBUTYROYLOX

View entire compound with spectra: 1 NMR, and 1 MS (GC)

13-ALPHA-HYDROXYTERRACINOLIDE-I;(1R*,2R*,3R*,4R*,5R*,6S*,7R*,8S*,9S*,13S*,15S*)-1,2,3,6,8,9-HEXAACETOXY-5,21-EPOXY-13,15-DIHYDROXY-7-ISOBUTYROYLOX
SpectraBase Compound ID 1NpGyLJMoKw
InChI InChI=1S/C38H52O19/c1-17(2)31(46)55-30-26(50-18(3)39)29(52-20(5)41)34(9,10)15-16-35(11,48)32(47)38(49)25(28-37(30,57-23(8)44)14-13-24(45)54-28)27(51-19(4)40)36(12,56-22(7)43)33(38)53-21(6)42/h15-17,25-30,33,48-49H,13-14H2,1-12H3/b16-15+/t25-,26+,27-,28-,29-,30-,33-,35-,36+,37+,38-/m1/s1
InChIKey MJGFWHXLKFAONU-XKLBHLKOSA-N
Mol Weight 812.8 g/mol
Molecular Formula C38H52O19
Exact Mass 812.310279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HWzoprvNHH
Name 13.alpha.-Hydroxy-Terracinolide I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H52O19
InChI InChI=1S/C38H52O19/c1-17(2)31(46)55-30-26(50-18(3)39)29(52-20(5)41)34(9,10)15-16-35(11,48)32(47)38(49)25(28-37(30,57-23(8)44)14-13-24(45)54-28)27(51-19(4)40)36(12,56-22(7)43)33(38)53-21(6)42/h15-17,25-30,33,48-49H,13-14H2,1-12H3/b16-15+/t25-,26+,27-,28-,29-,30-,33-,35-,36+,37+,38-/m1/s1
InChIKey MJGFWHXLKFAONU-XKLBHLKOSA-N
Molecular Weight 812.815 g/mol
SMILES O[C@@]1(\C=C\C([C@@]([C@@]([C@]([C@]2([C@@]([C@@]3([C@@](C1=O)([C@@]([C@]([C@@]3(OC(=O)C)[H])(OC(=O)C)C)(OC(=O)C)[H])O)[H])(OC(CC2)=O)[H])OC(=O)C)(OC(=O)C(C)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C)C)C
SPLASH splash10-0229-3920012000-c7c54390bff461ccffeb
Source of Spectrum G4-62-112-4
Wiley ID 1607687