Podophyllotoxin, secodeoxy cyclic ether
Basic information
- CAS
23284-23-3- Standard SMILES
COc1cc(CC2COCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OC- InChIKey
VJMJISPSGHVBBU-UHFFFAOYSA-N- Molecular formula
- C22H26O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17293854
Names & identifiers
- Preferred name
- Podophyllotoxin, secodeoxy cyclic ether
- IUPAC
- 5-[[4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methyl]-1,3-benzodioxole
Names & synonyms
73465-36-8PODOPHYLLOTOXIN, SECODEOXY CYCLIC ETHER5-((4-(3,4,5-Trimethoxybenzyl)tetrahydrofuran-3-yl)methyl)benzo[d][1,3]dioxoleCisburseranCHEMBL157013SCHEMBL10533159DTXSID50945977NSC123428NSC332038NSC332039NSC332040NSC-123428
Show more names
NSC-332038NSC-332039NSC-33204073465-38-0DS-0082985-({4-[(3,4,5-Trimethoxyphenyl)methyl]oxolan-3-yl}methyl)-2H-1,3-benzodioxole1,3-BENZODIOXOLE,5-[[(3S,4S)-TETRAHYDRO-4-[(3,4,5-TRIMETHOXYPHENYL)METHYL]-3-FURANYL]METHYL]-
Database identifiers
- CAS
23284-23-3、73465-36-8、73465-38-0- PubChem CID
- 276155
- DTXSID
DTXSID50945977- ChEMBL
CHEMBL157013
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
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Related reactions
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Compound notes
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