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4'-O-Demethylpodophyllotoxin

View entire compound with spectra: 2 MS (GC)

4'-O-Demethylpodophyllotoxin
SpectraBase Compound ID pp8FLAmqsx
InChI InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12?,17?,18?,19-/m0/s1
InChIKey YVCVYCSAAZQOJI-XWUKBXNSSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xhcYTYV9x7
Name 4'-O-Demethylpodophyllotoxin
Alternate Name(s) 4'-O-Demethylpicropodophyllotoxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12?,17?,18?,19-/m0/s1
InChIKey YVCVYCSAAZQOJI-XWUKBXNSSA-N
Molecular Weight 400.383 g/mol
SMILES Oc1c(cc(C2c3c([C@@](C4C2C(OC4)=O)(O)[H])cc2OCOc2c3)cc1OC)OC
SPLASH splash10-0f8a-0293100000-dcef6a37b46aa889b493
Source of Spectrum E1-39-93-19
Wiley ID 1598627