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4'-Demethyldeoxypodophyllotoxin

HCID 160705
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Basic information

CAS
3590-93-0
Standard SMILES
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
InChIKey
RFDMNXDDRXVJTM-RQUSPXKASA-N
Molecular formula
C21H20O7
Average molar mass
384.384 g/mol
Monoisotopic mass
384.12090298

Names & identifiers

Preferred name
4'-Demethyldeoxypodophyllotoxin
IUPAC
(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
English name
4’-Demethyldeoxypodophyllotoxin
Molecular formula
C21H20O7
Molecular weight
384.38

Names & synonyms

4’-Demethyldeoxypodophyllotoxin4'-Demethyldesoxypodophyllotoxin4'-Demethyl-4-deoxypodophyllotoxin7-Dehydroxy-4-demethylpodophyllotoxinPodophyllotoxin p-Desmethyl 9-Desoxy Impurity4′-Demethyldesoxypodophyllotoxin, CAS 3590-93-0Etoposide Impurity 19(4′-Demethyldeoxypodophyllotoxin)(5R)-5,5aα,6,8,8aβ,9-Hexahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one(5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one(5R,5aα)-5,8,8aβ,9-Tetrahydro-5β-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one

Database identifiers

CAS
3590-93-0
PubChem CID
160705
DTXSID
DTXSID50189475
ChEMBL
CHEMBL89905
ChEBI
CHEBI:1729
Nikkaji
J15.139D

Properties

Physicochemical properties

Melting point
244 · 244-249 °C
Boiling point
590.9 · 590.9±50.0 °C(Predicted)
Density
1.373 · 1.373±0.06 g/cm3(Predicted)
form
Solid
pka
9.94 · 9.94±0.40(Predicted)
color
White to off-white

Chemistry & industry

Applications

Uses4'-Demethyldesoxypodophyllotoxin is a flavonoid that exhibit inhibitory activity against human immunodeficiency virus reverse transcriptase and glycohydrolase.

Suppliers21 total

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]

Additional notes

DefinitionChEBI: 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 a position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.