 Home > Encyclopedia > (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one structure

CAS No:
6659-45-6
Formula:
C23H24O6
Chemical Name:
(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one
Synonyms:
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-,(2R,6aS,12aS)-;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aαH)-one,1,2,12,12aα-tetrahydro-2α-isopropyl-8,9-dimethoxy-;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-,[2R-(2α,6aα,12aα)]-;(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one;Dihydrorotenone;1′,2′-Dihydrorotenone;NSC 351138;NSC 53866;12379-65-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Dihydrorotenone, a natural pesticide, is a potent mitochondrial inhibitor. Dihydrorotenone probably induces Parkinsonian syndrome. Dihydrorotenone induces human plasma cell apoptosis by triggering endoplasmic reticulum stress and activating p38 signaling pathway[1].

(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one Basic Attributes

Molecular Weight：

396.433

Exact Mass：

396.43

UNII：

538CX0LPPO

NSC Number：

351138|53866

DSSTox ID：

DTXSID5041227

Characteristics

PSA：

63.22000

XLogP3：

4.82

Density：

1.3±0.1 g/cm3

Melting Point：

216 °C

Boiling Point：

553.9±50.0 °C at 760 mmHg

Flash Point：

241.6±30.2 °C

Refractive Index：

1.580

Drug Information

MeSH Entry Terms：

1',2'-dihydrorotenone

Computed Properties

Molecular Weight:396.4
XLogP3:4.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:396.15728848
Monoisotopic Mass:396.15728848
Topological Polar Surface Area:63.2
Heavy Atom Count:29
Complexity:623
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

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