Podophyllotoxin

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Systematic / IUPAC Name: (5R,5aR,8aR,9R)-9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

ID: Reference1779

Other Names: Podofilox;
Condylox;
Podophyllotoxin 7;
Condyline;
Wartec ; more

Formula: C22H22O8

Class: Natural Toxins Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Podophyllotoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 2:53:56 PM
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Identificators

InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChI Key YJGVMLPVUAXIQN-XVVDYKMHSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
CAS 4354761
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Other Names Podofilox;
Condylox;
Podophyllotoxin 7;
Condyline;
Wartec;
Warticon;
(-)-Podophyllotoxin

In Other Databases

PubChem 10607
ChEMBL CHEMBL61
KEGG C10874; D05529
ChemSpider 10162
ChEBI CHEBI:50305
ChemIDPlus 000518285
Wikipedia Podophyllotoxin
HMDb HMDB15310
DrugBank APRD01189