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Interiotherin D
SpectraBase Compound ID 9VKHzjHIq62
InChI InChI=1S/C26H26O8/c1-6-12(2)25(29)34-21-14(4)13(3)7-15-8-17(30-5)20(27)24(28)26(15)10-31-23-19(26)16(21)9-18-22(23)33-11-32-18/h6-9,13-14,21H,10-11H2,1-5H3/b12-6-,15-7+/t13-,14-,21-,26+/m1/s1
InChIKey PFTANZOUWVSEQC-WHHWATBXSA-N
Mol Weight 466.49 g/mol
Molecular Formula C26H26O8
Exact Mass 466.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gsmmiros4SX
Name Interiotherin D
Appearance Yellow prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O8
InChI InChI=1S/C26H26O8/c1-6-12(2)25(29)34-21-14(4)13(3)7-15-8-17(30-5)20(27)24(28)26(15)10-31-23-19(26)16(21)9-18-22(23)33-11-32-18/h6-9,13-14,21H,10-11H2,1-5H3/b12-6-,15-7+/t13-,14-,21-,26+/m1/s1
InChIKey PFTANZOUWVSEQC-WHHWATBXSA-N
Instrument Name Varian MAT-711
Ionization Type EI
Literature Reference DOI 10.1021/np0105127
Molecular Weight 466.486 g/mol
Optical Rotation [a]D = -271.19 (c = 1.180, CHCl3)
Reported Formula C26H26O8
SMILES c12c(cc3c4c2OC[C@]42\C(=C\[C@]([C@]([C@]3(OC(\C(C)=C/C)=O)[H])(C)[H])(C)[H])C=C(C(C2=O)=O)OC)OCO1
SPLASH splash10-001i-9103300000-505464aae38922c70342
Source of Spectrum G4-65-1244-2
Wiley ID 1883831