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Bruceine D

Bruceine D structure

CAS No:
21499-66-1
Formula:
C20H26O9
Chemical Name:
Bruceine D
Synonyms:
Picras-3-ene-2,16-dione,13,20-epoxy-1,11,12,14,15-pentahydroxy-,(1β,11β,12α,15β)-;5H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(6aβH)-dione,1,2,3,3a,4,7,7aα,11,11a,11bα-decahydro-1β,2α,3aβ,4β,11β-pentahydroxy-3α,8,11aβ-trimethyl-,(-)-;(1β,11β,12α,15β)-13,20-Epoxy-1,11,12,14,15-pentahydroxypicras-3-ene-2,16-dione;Bruceine D;NSC 318801;Brucein D;20-Deoxyyadanziolide A
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Bruceine D is a Notch inhibitor with anti-cancer activity and induces apoptosis in several human cancer cells. Bruceine D is an effective botanical insect antifeedant with outstanding systemic properties, causing potent pest growth inhibitory activity[1][2].

Bruceine D Basic Attributes

Molecular Weight：

410.416

Exact Mass：

410.42

Characteristics

PSA：

154

XLogP3：

-1.95320

Density：

1.6±0.1 g/cm3

Melting Point：

285-290 °C

Boiling Point：

661.3°C at 760 mmHg

Flash Point：

235.8±25.0 °C

Refractive Index：

1.670

Vapor Pressure：

2.65E-20mmHg at 25°C

Drug Information

MeSH Entry Terms：

bruceine D

Computed Properties

Molecular Weight:410.4
XLogP3:-2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Exact Mass:410.15768240
Monoisotopic Mass:410.15768240
Topological Polar Surface Area:154
Heavy Atom Count:29
Complexity:855
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes