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4'-(Benzoyloxycarbonyl)-4'-demethyl-neopodophyllotoxine
SpectraBase Compound ID 2KzYHi5DSqF
InChI InChI=1S/C29H26O10/c1-33-22-8-16(9-23(34-2)27(22)39-29(32)35-13-15-6-4-3-5-7-15)24-17-10-20-21(37-14-36-20)11-18(17)26-19(12-30)25(24)28(31)38-26/h3-11,19,24-26,30H,12-14H2,1-2H3/t19?,24-,25?,26?/m1/s1
InChIKey IUTPWQBMHYKLEU-GZVBZDDRSA-N
Mol Weight 534.52 g/mol
Molecular Formula C29H26O10
Exact Mass 534.152597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbfY8lHdwDs
Name 4'-(Benzoyloxycarbonyl)-4'-demethyl-neopodophyllotoxine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26O10
InChI InChI=1S/C29H26O10/c1-33-22-8-16(9-23(34-2)27(22)39-29(32)35-13-15-6-4-3-5-7-15)24-17-10-20-21(37-14-36-20)11-18(17)26-19(12-30)25(24)28(31)38-26/h3-11,19,24-26,30H,12-14H2,1-2H3/t19?,24-,25?,26?/m1/s1
InChIKey IUTPWQBMHYKLEU-GZVBZDDRSA-N
Molecular Weight 534.517 g/mol
SMILES OCC1C2[C@](c3cc(OC)c(c(c3)OC)OC(=O)OCc3ccccc3)(c3c(C1OC2=O)cc1c(OCO1)c3)[H]
SPLASH splash10-0006-9206200000-172df48da82bbd9243b8
Source of Spectrum D8-330-288-21
Wiley ID 1516493