 Home > Encyclopedia > (5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

(5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

(5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one structure

CAS No:
17301-90-5
Formula:
C22H22O7
Chemical Name:
(5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Synonyms:
17301-90-5;AC1L7BX0;(?)-Deoxyisopodophyllotoxin;CHEMBL3244930;DTXSID70318503;ZINC1531883;NSC332044;PODOPHYLLOTOXIN, 4 BETA-DEOXY;NSC-332044

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(5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one Basic Attributes

Molecular Weight：

398.4 g/mol

Exact Mass：

398.13655304 g/mol

NSC Number：

332044

DSSTox ID：

DTXSID70318503

Characteristics

PSA：

72.4 Å²

Computed Properties

Molecular Weight:398.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:398.13655304
Monoisotopic Mass:398.13655304
Topological Polar Surface Area:72.4
Heavy Atom Count:29
Complexity:598
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5S,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Basic Attributes
Characteristics
Computed Properties

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