Basic information
- CAS
25514-29-8- Standard SMILES
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(C)=O)C24- InChIKey
YDWODLQEUPYKGJ-UHFFFAOYSA-N- Molecular formula
- C23H28O11
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.16316171
Overview
Brucein B has been reported in Brucea javanica with data available.
Names & identifiers
- Preferred name
- Brucein B
- IUPAC
- methyl 3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
- English name
- bruceine B
- Molecular formula
- C23H28O11
- Molecular weight
- 480.46
Names & synonyms
BRUCEIN BNSC132793NSC-132793methyl 15-(acetyloxy)-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oateDTXSID90948402ABA51429Picras-3-en-21-oic acid,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)-NSC 132793bruceine B15β-Acetoxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl esterPicras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-(11beta,12alpha,15beta)-15-(Acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-picras-3-en-21-oic acid methyl ester
Database identifiers
- CAS
25514-29-8- PubChem CID
- 280689
- DTXSID
DTXSID90948402
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 701.8 · 701.8±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- pka
- 8.83 · 8.83±0.70(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesBruceine B inhibits protein synthesis and nucleic acid synthesis[1].
Upstream & downstream products
Upstream raw materials
Suppliers43 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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