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(2'ALPHA,3A'ALPHA,4'ALPHA,7'ALPHA,7A'ALPHA)-2-(4',7'-DIMETHOXY-3A'4',7',7A'-TETRAHYDRO-1',3'-BENZODIOXOL-2'-YL)-1-METHOXY-4-(2''-METHYLPROP-2''-ENYLO
SpectraBase Compound ID EpvLtC2GTrI
InChI InChI=1S/C28H28O8/c1-14(2)13-34-20-12-17(28-35-26-18(31-3)10-11-19(32-4)27(26)36-28)25(33-5)22-21(20)23(29)15-8-6-7-9-16(15)24(22)30/h6-12,18-19,26-28H,1,13H2,2-5H3/t18-,19+,26+,27-,28?
InChIKey YWXSOCQFQBASCG-UPHCYCCYSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RUwy8IYy0
Name (2'a,3a'a,4'a,7'a,7a'a)-2-(4',7'-dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-1-methoxy-4-(2''-methylprop-2''enyloxy)anthraquinone
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Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-14(2)13-34-20-12-17(28-35-26-18(31-3)10-11-19(32-4)27(26)36-28)25(33-5)22-21(20)23(29)15-8-6-7-9-16(15)24(22)30/h6-12,18-19,26-28H,1,13H2,2-5H3/t18-,19+,26+,27-,28?
InChIKey YWXSOCQFQBASCG-UPHCYCCYSA-N
Molecular Weight 492.524 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OCC(=C)C)cc(c1OC)C1O[C@@]2([C@](C=C[C@]([C@@]2(O1)[H])(OC)[H])(OC)[H])[H]
SPLASH splash10-0w2d-0056900000-210491d6f40f376f7cc2
Source of Spectrum B-46-37-0
Synonyms (2'a,3a'a,4'a,7'a,7a'a)-2-(4',7'-Dimethoxy-3a',4',7',7a'-tetrahydro-1',3'-benzodioxol-2'-yl)-1-methoxy-4-(2''-methylprop-2''enyloxy)anthraquinone 2-[(3aR,4S,7R,7aS)-4,7-dimethoxy-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-yl]-1-methoxy-4-[(2-methyl-2-propenyl)oxy]anthra-9,10-quinone
Wiley ID 1397585