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2-Butenoic acid, 2-[(acetyloxy)methyl]-, 5-acetyl-2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-3-benzofuranyl ester, [2S-[2.alpha.,3.beta.(Z)]]-
SpectraBase Compound ID Bg41eo0ID4d
InChI InChI=1S/C20H22O7/c1-6-13(9-25-12(5)22)20(24)27-19-15-7-14(11(4)21)16(23)8-17(15)26-18(19)10(2)3/h6-8,18-19,23H,2,9H2,1,3-5H3/b13-6-/t18-,19+/m0/s1
InChIKey QDMKPJRHOAHMJH-RYMMQFKXSA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5vPX1CCElX
Name 2-Butenoic acid, 2-[(acetyloxy)methyl]-, 5-acetyl-2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-3-benzofuranyl ester, [2S-[2.alpha.,3.beta.(Z)]]-
CAS Registry Number 62868-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-6-13(9-25-12(5)22)20(24)27-19-15-7-14(11(4)21)16(23)8-17(15)26-18(19)10(2)3/h6-8,18-19,23H,2,9H2,1,3-5H3/b13-6-/t18-,19+/m0/s1
InChIKey QDMKPJRHOAHMJH-RYMMQFKXSA-N
Molecular Weight 374.389 g/mol
SMILES Oc1c(cc2[C@]([C@](C(=C)C)(Oc2c1)[H])(OC(\C(COC(=O)C)=C/C)=O)[H])C(=O)C
SPLASH splash10-0gb9-0290000000-4e234ce58d586aca6e55
Source of Spectrum K-110-1039-0
Synonyms (2S,3R)-5-acetyl-6-hydroxy-2-isopropenyl-2,3-dihydro-1-benzofuran-3-yl (2Z)-2-[(acetyloxy)methyl]-2-butenoate .alpha.-acetoxymethyl-trans-crotonate trans-3-hydroxy-2,3-dihydroeuparin
Wiley ID 1356584