Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b)

Modify Date: 2025-08-31 19:28:33

Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b) Structure
Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b) structure
Common Name Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b)
CAS Number 53663-03-9 Molecular Weight 480.46200
Density 1.52g/cm3 Boiling Point 696.1ºC at 760mmHg
Molecular Formula C23H28O11 Melting Point N/A
MSDS N/A Flash Point 239.3ºC

 Names

Name isobruceine b
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.52g/cm3
Boiling Point 696.1ºC at 760mmHg
Molecular Formula C23H28O11
Molecular Weight 480.46200
Flash Point 239.3ºC
Exact Mass 480.16300
PSA 165.89000
Index of Refraction 1.614
InChIKey WAYNIXHIORQRDI-RWLFMTGCSA-N
SMILES COC(=O)C12OCC34C(CC5C(C)=CC(=O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(C)=O)C24

 Synthetic Route

~%

Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b) Structure

Picras-3-en-21-...

CAS#:53663-03-9

Literature: Sakaki; Yoshimura; Ishibashi; et al. Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 11 p. 4702 - 4705

~%

Picras-3-en-21-oicacid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester,(1b,11b,12a,15b) Structure

Picras-3-en-21-...

CAS#:53663-03-9

Literature: Sakaki; Yoshimura; Ishibashi; et al. Bulletin of the Chemical Society of Japan, 1985 , vol. 58, # 9 p. 2680 - 2686

 Precursor & DownStream

Precursor  0

DownStream  1

 Bioassay

View more

Name: Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of LPS-i...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL3429954
Name: Growth inhibition of human NCI60 cells
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1063016
Name: Cytotoxicity against mouse RAW264.7 cells assessed as cell viability at 0.001 to 10 u...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL3429955
Name: Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of LPS-i...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL3429952
Name: Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of LPS-i...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL3429953
Name: Inhibition of PGN-induced NF-kappaB activation in mouse RAW264.7 cells assessed as re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3428141
Name: Inhibition of TNF-induced NF-kappaB activation in mouse RAW264.7 cells assessed as re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3428142
Name: Cytotoxicity against mouse RAW264.7 cells at 0.001 to 10 uM pretreated 30 mins by LDH...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL3428139
Name: Inhibition of LPS-induced NF-kappaB activation in mouse RAW264.7 cells assessed as re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3428140
Name: Inhibition of NF-kappaB-mediated IkappaBalpha degradation in LPS-induced mouse RAW264...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3428145
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 Synonyms

isobrucein-B
ISOBRUCEINE-B
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