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Bruceine B - ≥99% , CAS No.25514-29-8

CAS: 25514-29-8 Cat. No.: B649413 Molecular Weight: 480.46 PubChem CID: 161496
COA
Bruceine B - ≥99% CAS No(25514-29-8) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
AKOS030573658 | Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- | MS-28937 | Q27105981 | HY-N3013 | BRUCEIN B | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-tri
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B649413-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$464.90
5mg
B649413-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,220.90
10mg
B649413-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,900.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Bruceine B inhibits protein synthesis and nucleic acid synthesis.

In Vitro

Bruceine B exhibits an IC 50 of 10 nM for antimalarial activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms
AKOS030573658 | Picras-3-en-21-oic acid, 15-(acetyloxy)-13, 20-epoxy-3, 11, 12-trihydroxy-2, 16-dioxo-, methyl ester, (11beta, 12alpha, 15beta)- | MS-28937 | Q27105981 | HY-N3013 | BRUCEIN B | methyl (1R, 2S, 3R, 6R, 8R, 13S, 14R, 15R, 16S, 17S)-3-acetyloxy-10, 15, 16-tri
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Bruceine B inhibits protein synthesis and nucleic acid synthesis.
Storage
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
IUPAC Namemethyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-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
InChIKeyYDWODLQEUPYKGJ-LZFWDZGBSA-N
INCHI1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
Isomeric SMILES CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
Alternate CAS 25514-29-8
PubChem CID 161496
MeSH Entry Terms bruceine B
Molecular Weight 480.46

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTerpene lactones
Intermediate Tree Nodes Not available
Direct ParentQuassinoids
Alternative Parents Triterpenoids  Naphthopyrans  Naphthalenes  Tricarboxylic acids and derivatives  Furopyrans  Beta hydroxy acids and derivatives  Cyclohexenones  Delta valerolactones  Oxepanes  Pyrans  Oxanes  Methyl esters  Tetrahydrofurans  Furans  Secondary alcohols  Cyclic alcohols and derivatives  1,2-diols  Enols  Dialkyl ethers  Oxacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Triterpenoid - Polycyclic triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Furopyran - Delta_valerolactone - Cyclohexenone - Delta valerolactone - Beta-hydroxy acid - Oxepane - Oxane - Hydroxy acid - Pyran - Furan - Tetrahydrofuran - Methyl ester - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Lactone - Carboxylic acid ester - Ketone - 1,2-diol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Enol - Ether - Polyol - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
External Descriptors Dammarenes
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-8 (3484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Entamoeba histolytica (2676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FM3A (1296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tobacco mosaic virus (2972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight480.500 g/mol
XLogP3-0.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass480.163 Da
Monoisotopic Mass480.163 Da
Topological Polar Surface Area166.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity1030.000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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