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Podophyllotoxin
SpectraBase Compound ID KYIvNJCJwZY
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKey YJGVMLPVUAXIQN-XVVDYKMHSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MErd3Yp4is
Name (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKey YJGVMLPVUAXIQN-XVVDYKMHSA-N
Literature Reference DOI 10.1002/cjoc.19860040106
Molecular Weight 414.410 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@](c3c1cc1c(c3)OCO1)(c1cc(c(c(c1)OC)OC)OC)[H])(C(OC2)=O)[H])[H])[H]
SPLASH splash10-03xr-2402900000-683998d913b76441b294
Source of Spectrum SI-4-41-1
Synonyms (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Wiley ID 1813342