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(-)-Neopodophllotoxin
SpectraBase Compound ID HQOIdmv7esY
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(29-9-28-14)7-12(11)20-13(8-23)19(18)22(24)30-20/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1
InChIKey IXIUIXFHMVRZSY-LGWHJFRWSA-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 KXrZhzgoKDy
Name (-)-Neopodophllotoxin
CAS Registry Number 1456-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(29-9-28-14)7-12(11)20-13(8-23)19(18)22(24)30-20/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1
InChIKey IXIUIXFHMVRZSY-LGWHJFRWSA-N
Molecular Weight 414.410 g/mol
SMILES OC[C@]1([C@]2([C@](c3cc(OC)c(c(c3)OC)OC)(c3c([C@]1(OC2=O)[H])cc1c(OCO1)c3)[H])[H])[H]
SPLASH splash10-014i-9004400000-ea24b01ed2728774c70a
Source of Spectrum J-57-1516-0
Synonyms (-)-Neopophllotoxin (1S,11R,12R,15R)-15-(hydroxymethyl)-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.0(2,10).0(4,8)]pentadeca-2(10),3,8-trien-13-one
Wiley ID 1375348