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2-Butenoic acid, 2-methyl-, (5,6-dihydro-6-hydroxy-9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl)methyl ester, [5R-[4(Z),5.alpha.,6.alpha.]]-

View entire compound with spectra: 1 MS (GC)

2-Butenoic acid, 2-methyl-, (5,6-dihydro-6-hydroxy-9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl)methyl ester, [5R-[4(Z),5.alpha.,6.alpha.]]-
SpectraBase Compound ID ANYfWjwu5ig
InChI InChI=1S/C21H24O5/c1-6-11(2)21(23)26-10-15-17-12(3)9-25-20(17)19(24-5)14-7-8-16(22)13(4)18(14)15/h6-9,13,16,22H,10H2,1-5H3/b11-6-/t13-,16-/m0/s1
InChIKey HZKKUYMQQTYDGZ-HMEXKSLASA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2t9RFXBAFU
Name 2-Butenoic acid, 2-methyl-, (5,6-dihydro-6-hydroxy-9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl)methyl ester, [5R-[4(Z),5.alpha.,6.alpha.]]-
Alternate Name(s) Naphtho[2,3-b]furan, 2-butenoic acid deriv. 14-(angeloyloxy)cacalohastin-3.beta.-ol [(5R,6S)-6-hydroxy-9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-b]furan-4-yl]methyl (2Z)-2-methyl-2-butenoate
CAS Registry Number 64185-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-6-11(2)21(23)26-10-15-17-12(3)9-25-20(17)19(24-5)14-7-8-16(22)13(4)18(14)15/h6-9,13,16,22H,10H2,1-5H3/b11-6-/t13-,16-/m0/s1
InChIKey HZKKUYMQQTYDGZ-HMEXKSLASA-N
Molecular Weight 356.418 g/mol
SMILES O[C@]1(C=Cc2c(c(c3c(occ3C)c2OC)COC(\C(=C/C)C)=O)[C@]1(C)[H])[H]
SPLASH splash10-0a4i-3091000000-5902edcbc4e9ee0a1d98
Source of Spectrum K-111-3145-0
Wiley ID 1345908