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(1R,3S)-4-Thia-2-azapodophylotoxin
SpectraBase Compound ID GZmnhxXHDJ9
InChI InChI=1S/C20H19NO7S/c1-23-14-4-10(5-15(24-2)19(14)25-3)18-11-6-12-13(28-9-27-12)7-16(11)29-17-8-26-20(22)21(17)18/h4-7,17-18H,8-9H2,1-3H3/t17-,18+/m0/s1
InChIKey PAVQULCWZOWVDW-ZWKOTPCHSA-N
Mol Weight 417.43 g/mol
Molecular Formula C20H19NO7S
Exact Mass 417.088223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHwjdv5IiW2
Name (1R,3S)-4-Thia-2-azapodophylotoxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO7S
InChI InChI=1S/C20H19NO7S/c1-23-14-4-10(5-15(24-2)19(14)25-3)18-11-6-12-13(28-9-27-12)7-16(11)29-17-8-26-20(22)21(17)18/h4-7,17-18H,8-9H2,1-3H3/t17-,18+/m0/s1
InChIKey PAVQULCWZOWVDW-ZWKOTPCHSA-N
Molecular Weight 417.432 g/mol
SMILES [C@]1(N2[C@@](Sc3cc4OCOc4cc13)(COC2=O)[H])(c1cc(OC)c(c(c1)OC)OC)[H]
SPLASH splash10-0udi-0009300000-52055fea23256b4e869d
Source of Spectrum KC-0-1390-6
Synonyms (10R)-10-(3,4,5-trimethoxyphenyl)-5a,6-dihydro-10H-[1,3]dioxolo[4,5-g][1,3]oxazolo[4,3-b][1,3]benzothiazin-8-one 4-Thia-2-azapodophylotoxin
Wiley ID 783796