Products for Research Use Only
RegisterLogin

4'-Demethylpodophyllotoxin

CAT: 1407-AB1907Size: 20 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1407-AB1907Size:20 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
40505-27-9
Purity
98% (HPLC)
Molecular Formula
C21H20O8
Molecular Weight
400.383

Chemical Information

4'-Demethylpodophyllotoxin

4'-demethylpodophyllotoxin is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has a role as a metabolite. It is a member of phenols, an organic heterotetracyclic compound and a furonaphthodioxole.

CAS Number40505-27-9
PubChem CID122667
IUPAC Name(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular FormulaC21H20O8
Molecular Weight400.4
XLogP1.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity614
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI
InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
InChIKey
YVCVYCSAAZQOJI-BTINSWFASA-N
Chemical Structure
2D Structure
2D structure of 4'-Demethylpodophyllotoxin
CAS: 40505-27-9
CID: 122667
Formula: C21H20O8
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass400.11581759
Monoisotopic Mass400.11581759
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AB20344,4'-Methylenebis[Phenol
AB19362',4,4',6'-Tetramethoxychalcone
AB32914,4'-Dihydroxy-2,6-dimethoxydihydrochalcone
AB34484’-Demethyldeoxypodophyllotoxin
AB26404-Hydroxyderricin
AB29194-Hydroxychalcone
AB04394'-Hydroxychalcone
AB01034-Mthoxysalicylaldehyde
AD26404-Hydroxyderricin
AB33284'-Methoxyisoagarotetrol

Alternative Products

CatalogName
433947-014’-Demethylpodophyllotoxin
AR-P02252-014'-Demethylpodophyllotoxin
371358Demethylpodophyllotoxin, 4'- discontinued
RM-E151612-01Etoposide EP Impurity L (4'-Demethylpodophyllotoxin)
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine

Popular Products