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4'-demethyldeoxypodophyllotoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_1729

A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.

Term info

Label

4'-demethyldeoxypodophyllotoxin

Synonyms
  • (5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one [ IUPAC ]

charge

0

formula

C21H20O7

has obo namespace

chebi_ontology

has related synonym

(-)-4'-demethyldeoxypodophyllotoxin, A 80198, (-)-4'-desmethyl-deoxypodophyllotoxin, 4'-desmethyldesoxypodophyllotoxin

id

CHEBI:1729

inchi

InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1

inchikey

RFDMNXDDRXVJTM-RQUSPXKASA-N

mass

384.380

monoisotopicmass

384.12090

smiles

[C@H]1(C2=C(C[C@@]3([C@@]1(C(OC3)=O)[H])[H])C=C4OCOC4=C2)C5=CC(=C(C(=C5)OC)O)OC