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2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-10-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,11a-decahydro-7-methyl-3-methylene-2,6-dioxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),7R*,9S*,10Z,11aR*]]-
SpectraBase Compound ID JxfSwuutYrm
InChI InChI=1S/C24H30O9/c1-7-12(2)23(28)32-21-10-18(27)13(3)8-19(31-16(6)26)17(11-30-15(5)25)9-20-22(21)14(4)24(29)33-20/h7,9,13,19-22H,4,8,10-11H2,1-3,5-6H3/b12-7-,17-9-/t13-,19+,20-,21-,22+/m1/s1
InChIKey MNYIONMVAJDZKD-FXBOJGCRSA-N
Mol Weight 462.5 g/mol
Molecular Formula C24H30O9
Exact Mass 462.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6evmVnmtAnw
Name 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-10-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,11a-decahydro-7-methyl-3-methylene-2,6-dioxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),7R*,9S*,10Z,11aR*]]-
CAS Registry Number 116186-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O9
InChI InChI=1S/C24H30O9/c1-7-12(2)23(28)32-21-10-18(27)13(3)8-19(31-16(6)26)17(11-30-15(5)25)9-20-22(21)14(4)24(29)33-20/h7,9,13,19-22H,4,8,10-11H2,1-3,5-6H3/b12-7-,17-9-/t13-,19+,20-,21-,22+/m1/s1
InChIKey MNYIONMVAJDZKD-FXBOJGCRSA-N
Molecular Weight 462.495 g/mol
SMILES C1(C([C@@]2([C@@](CC([C@](C)(C[C@@](\C(=C/[C@]2(O1)[H])COC(=O)C)(OC(=O)C)[H])[H])=O)(OC(\C(=C/C)C)=O)[H])[H])=C)=O
SPLASH splash10-0f6x-9200000000-cd5cc4675464fe340bfa
Source of Spectrum J-53-5530-6
Synonyms Cyclodeca[b]furan, 2-butenoic acid deriv. (3aR,4R,7R,9S,11aR)-9-(acetyloxy)-10-[(acetyloxy)methyl]-7-methyl-3-methylene-2,6-dioxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl (2Z)-2-methyl-2-butenoate
Wiley ID 1391015