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13-Acetoxyrolandrolide

View entire compound with spectra: 1 MS (GC)

13-Acetoxyrolandrolide
SpectraBase Compound ID BCUIG2WK4gX
InChI InChI=1S/C23H28O9/c1-12(2)21(26)31-18-8-13(3)7-16(30-15(5)25)9-23(6,28)10-19-20(18)17(22(27)32-19)11-29-14(4)24/h7,10,16,18,28H,1,8-9,11H2,2-6H3/b13-7-,19-10+
InChIKey SBZYIOCHWBZFIG-WUDFEEAFSA-N
Mol Weight 448.47 g/mol
Molecular Formula C23H28O9
Exact Mass 448.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzXh4q6DYSd
Name 13-Acetoxyrolandrolide
CAS Registry Number 76010-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O9
InChI InChI=1S/C23H28O9/c1-12(2)21(26)31-18-8-13(3)7-16(30-15(5)25)9-23(6,28)10-19-20(18)17(22(27)32-19)11-29-14(4)24/h7,10,16,18,28H,1,8-9,11H2,2-6H3/b13-7-,19-10+
InChIKey SBZYIOCHWBZFIG-WUDFEEAFSA-N
Molecular Weight 448.468 g/mol
SMILES OC1(\C=C/2C(=C(C(O2)=O)COC(=O)C)C(OC(C(=C)C)=O)C\C(=C/C(OC(=O)C)C1)C)C
SPLASH splash10-00dm-0950000000-89f59907ee71d9a5a992
Source of Spectrum J-46-764-0
Synonyms 2-Methyl-2-propenoic acid[(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl]ester 2-Methylacrylic acid[(6Z,11E)-8-acetoxy-3-(acetoxymethyl)-10-hydroxy-2-keto-6,10-dimethyl-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl]ester 8-(acetyloxy)-3-[(acetyloxy)methyl]-10-hydroxy-6,10-dimethyl-2-oxo-2,4,5,8,9,10-hexahydrocyclodeca[b]furan-4-yl 2-methylacrylate [(6Z,11E)-8-acetoxy-3-(acetoxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl]2-methylprop-2-enoate [(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl]2-methylprop-2-enoate [(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-10-oxidanyl-2-oxidanylidene-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl]2-methylprop-2-enoate 2-Methyl-2-propenoic acid [(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] ester [(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate [(6Z,11E)-8-acetoxy-3-(acetoxymethyl)-10-hydroxy-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate [(6Z,11E)-8-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-10-oxidanyl-2-oxidanylidene-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Wiley ID 1387119