 Home > Encyclopedia > (3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one structure

CAS No:
138456-91-4
Formula:
C20H20O8
Chemical Name:
(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Synonyms:
4-Demethyl-6,7-demethylene-1-epipodophyllotoxin;138456-91-4;(3aR,4S,9R,9aR)-4,6,7-Trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydronaphtho(2,3-c)furan-1(3H)-one;(3aR,4S,9R,9aR)-4,6,7-Trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one;CHEMBL100325;DTXSID90160682;(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one;4alpha,6,7-Trihydroxy-9beta-[4-hydroxy-3,5-dimethoxyphenyl]-3abeta,4,9,9aalpha-tetrahydronaphtho[2,3-c]furan-1(3H)-one;Naphtho(2,3-c)furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR-(3aalpha,4beta,9alpha,9abeta))-;Naphtho[2,3-c]furan-1(3H)-one, 3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-, [3aR-(3a.alpha.,4.beta.,9.alpha.,9a.beta.)]-

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(3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one Basic Attributes

Molecular Weight：

388.4 g/mol

Exact Mass：

388.11581759 g/mol

DSSTox ID：

DTXSID90160682

Characteristics

PSA：

126 Å²

Computed Properties

Molecular Weight:388.4
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:388.11581759
Monoisotopic Mass:388.11581759
Topological Polar Surface Area:126
Heavy Atom Count:28
Complexity:571
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR,4S,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

Basic Attributes
Characteristics
Computed Properties

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