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Methyl isopodophyllate
SpectraBase Compound ID 9HyqYVIa76C
InChI InChI=1S/C23H26O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-21,24-25H,9-10H2,1-4H3/t14-,19-,20+,21?/m1/s1
InChIKey HBBWXDGEOJRBFR-MMCLWGKMSA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMiffNBhZ0M
Name Methyl isopodophyllate
CAS Registry Number 122871-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O9
InChI InChI=1S/C23H26O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-21,24-25H,9-10H2,1-4H3/t14-,19-,20+,21?/m1/s1
InChIKey HBBWXDGEOJRBFR-MMCLWGKMSA-N
Molecular Weight 446.452 g/mol
SMILES OC1[C@](CO)([C@@]([C@@](c2c1cc1c(c2)OCO1)(c1cc(OC)c(c(c1)OC)OC)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0hfw-0128900000-8814c0cfffeabe5f9c41
Source of Spectrum J-54-4289-11
Synonyms Methyl epipodophyllate Methyl isopicropodophyllate Methyl (5R,6R,7S)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate
Wiley ID 1386563