Basic information
- CAS
38491-90-6- Standard SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(C)=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC- InChIKey
SASVNKPCTLROPQ-RGXPITOMSA-N- Molecular formula
- C24H24O9
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.14203234
Overview
Picropodophyllotoxin acetate has been reported in Hernandia guianensis and Hernandia ovigera with data available.
Names & identifiers
- Preferred name
- Picropodophyllotoxin acetate
- IUPAC
- [(5R,5aR,8aS,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
Names & synonyms
PICROPODOPHYLLOTOXIN ACETATE38491-90-6SR-05000002684Picropodophyllin, acetateSpectrum_001662Spectrum2_000807Spectrum3_000662Spectrum4_001634Spectrum5_000447BSPBio_002323KBioGR_002067KBioSS_002142
Show more names
SPECTRUM1504411PICROPODOPHYLLIN ACETATESPBio_000673CHEMBL454333SCHEMBL4276054SCHEMBL31237870KBio2_002142KBio2_004710
Database identifiers
- CAS
38491-90-6- PubChem CID
- 233299
- DTXSID
DTXSID20959364- ChEMBL
CHEMBL454333- Nikkaji
- J556.523E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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