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Obacunone

Obacunone structure

CAS No:
751-03-1
Formula:
C26H30O7
Chemical Name:
Obacunone
Synonyms:
Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-,(1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-;Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aαH,4bH,6H)-trione,1α-(3-furyl)-1,6aα,7,11a,11bα,12,13,13a-octahydro-4bβ,7,7,11aβ,13aα-pentamethyl-;Obacunone;Obacunoic acid,ε-lactone;(1S,3aS,4aR,4bR,6aR,11aR,11bR,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione;Tricoccin S3;Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione,1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyl-,[1S-(1α,3aα,4aS*,4bβ,6aα,11aβ,11bα,13aα)]-;[1S-(1α,3aα,4aS*,4bβ,6aα,11aβ,11bα,13aα)]-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione;Obacunoic acid 3,4-lactone;14,15:21,23-Diepoxy-4,4,8-trimethyl-A,D-dihomo-24-nor-4,17-dioxachola-1,20,22-triene-3,7,16-trione;Obakunone;40758-67-6;40758-68-7
Categories:
Biochemical Engineering > Biosynthetic Natural Products

Description

Obacunone, isolated from seeds of Marsh White grapefruit, exhibits anti-tumor activity by the induction of apoptosis[1].

Obacunone is a limonoid.

Obacunone Basic Attributes

Molecular Weight：

454.516

Exact Mass：

454.51

HScode：

29322090

Characteristics

PSA：

95.3

XLogP3：

3.2

Density：

1.3±0.1 g/cm3

Melting Point：

130-229 °C

Flash Point：

332.5±31.5 °C

Refractive Index：

1.592

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

RR1104200

Drug Information

MeSH Entry Terms：

obacunone

Computed Properties

Molecular Weight:454.5
XLogP3:3.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:454.19915329
Monoisotopic Mass:454.19915329
Topological Polar Surface Area:95.3
Heavy Atom Count:33
Complexity:985
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 751-03-1

Grade: industrial Grade

Content: 98%

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CAS No.: 751-03-1

Grade: Industrial Grade

Content: 99%

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Guide of Obacunone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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Obacunone

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