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(E)-(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl 2-methylbut-2-enoate

View entire compound with spectra: 1 MS (GC)

(E)-(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl 2-methylbut-2-enoate
SpectraBase Compound ID IXYBitKlZZQ
InChI InChI=1S/C21H30O6/c1-7-11(2)18(23)26-15-9-8-12(3)20(5)14(15)10-21(25-6)16(17(20)22)13(4)19(24)27-21/h7,12,14-15,17,22H,8-10H2,1-6H3/b11-7+/t12-,14-,15-,17+,20+,21-/m0/s1
InChIKey CZMOHCGAILDDJJ-MJFKKYKMSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLowWDXLJCs
Name (E)-(4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl 2-methylbut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-7-11(2)18(23)26-15-9-8-12(3)20(5)14(15)10-21(25-6)16(17(20)22)13(4)19(24)27-21/h7,12,14-15,17,22H,8-10H2,1-6H3/b11-7+/t12-,14-,15-,17+,20+,21-/m0/s1
InChIKey CZMOHCGAILDDJJ-MJFKKYKMSA-N
Molecular Weight 378.465 g/mol
SMILES O[C@]1([C@@]2([C@](CC[C@@]([C@@]2(C[C@]2(C1=C(C(O2)=O)C)OC)[H])(OC(=O)\C(=C\C)C)[H])(C)[H])C)[H]
SPLASH splash10-0a59-9210000000-619e417ebaf2b13296ee
Source of Spectrum Liliana Ruiz-Vasquez, et al. Phytochemistry, V.117, 2015, P.245-253
Synonyms (4S,4aR,5S,8S,8aR,9aS)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl (E)-2-methylbut-2-enoate
Wiley ID 1815317