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Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(benzoyloxy)-3a,4,9,9a-tetrahydro-6,7-dimethoxy-, (3a.alpha.,4.beta.,9.beta.,9a.beta.)-
SpectraBase Compound ID FRy8a6cFU59
InChI InChI=1S/C28H24O8/c1-31-21-11-17-18(12-22(21)32-2)26(36-27(29)15-6-4-3-5-7-15)19-13-33-28(30)25(19)24(17)16-8-9-20-23(10-16)35-14-34-20/h3-12,19,24-26H,13-14H2,1-2H3/t19-,24-,25-,26+/m1/s1
InChIKey UDCBJIRFYUGZSZ-BBXSYUKCSA-N
Mol Weight 488.49 g/mol
Molecular Formula C28H24O8
Exact Mass 488.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxmmH0bTjuC
Name Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-(benzoyloxy)-3a,4,9,9a-tetrahydro-6,7-dimethoxy-, (3a.alpha.,4.beta.,9.beta.,9a.beta.)-
CAS Registry Number 103844-14-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O8
InChI InChI=1S/C28H24O8/c1-31-21-11-17-18(12-22(21)32-2)26(36-27(29)15-6-4-3-5-7-15)19-13-33-28(30)25(19)24(17)16-8-9-20-23(10-16)35-14-34-20/h3-12,19,24-26H,13-14H2,1-2H3/t19-,24-,25-,26+/m1/s1
InChIKey UDCBJIRFYUGZSZ-BBXSYUKCSA-N
Molecular Weight 488.492 g/mol
SMILES [C@]12([C@](c3cc(OC)c(cc3[C@]([C@@]2(C(=O)OC1)[H])(c1cc2OCOc2cc1)[H])OC)(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-014i-0009200000-73186dea52731a1c7490
Source of Spectrum KC-1988-1611-15
Synonyms (3aS,4R,9R,9aS)-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl benzoate 4-Benzoyloxy-3-hydroxymethyl-1-(3',4'-methylenedioxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroxy-2-naphthoic acid .gamma.-lactone
Wiley ID 1396895