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Screening compounds

Brusatol

Also known as Yatansin, (11 beta,12 alpha,15 beta)-13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oic acid, methyl ester, (+)-Brusatol

CAS 14907-98-3Formula C26H32O11Molar mass 520.53 g/mol
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Brusatol chemical structure, C26H32O11, CAS 14907-98-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14907-98-3
Formula
C26H32O11
Molar mass
520.53 g/mol
HS code
293220
Category
Screening compounds

What is Brusatol?

Plain description, key identifiers and synonyms

Brusatol is a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
CAS number
14907-98-3 CAS number cross-checked
Molecular formula
C26H32O11
UNII
3ATY6SZ64B
MDL number
MFCD01746220, MFCD23726642
InChIKey
ZZZYHIMVKOHVIH-VILODJCFSA-N
InChI
InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Canonical SMILES
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24
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=C(C)C)(OC5)C(=O)OC)O)O)C)O

Synonyms

  • Yatansin
  • (11 beta,12 alpha,15 beta)-13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oic acid, methyl ester
  • (+)-Brusatol
  • methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-dioxo-[?]carboxylate
  • Brusatol - Bio-X trade mark
  • Methyl 13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oate (11beta,12alpha,15beta)-
  • Brusatol, >=95% (HPLC)
  • (11beta,12alpha,15beta)-13,20-Epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oic acid, methyl ester
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
  • 2H-3,11cbeta-(Epoxymethano)phenanthro[10,1-bc]pyra
  • 13,20-Epoxy-3,11b,12a-trihydroxy-15b-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicras-3-en-21-oic acid methyl ester
  • Methyl 3,11beta,12alpha-trihydroxy-15beta-[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13beta-13,20-epoxypicras-3-en-21-oate
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
  • Picras-3-en-21-oicacid,13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-,methyl ester, (11b,12a,15b)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
520.53 g/molcalc.
Exact mass
520.1945 Dacalc.
LogP (octanol/water)
0.52calc.
Topological polar surface area
165.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
3calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC2CC3OC(=O)CC4C5CCC(C2C1)C34CO5

O=C1C=CC2CC3OC(=O)CC4C5CCC(C2C1)C34CO5

5 rings, 21 atoms.

37 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Brusatol suppliers

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Brusatol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Brusatol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Brusatol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Brusatol, based on the data on this page

What is Brusatol?

Brusatol is a triterpenoid.

What is the CAS number of Brusatol?

The CAS registry number of Brusatol is 14907-98-3.

What is the molecular formula and weight of Brusatol?

The molecular formula of Brusatol is C26H32O11 and its molar mass is 520.53 g/mol.

What is Brusatol used for?

Known uses and roles of Brusatol include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Brusatol hazardous?

No GHS hazard classification for Brusatol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Brusatol?

Brusatol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brusatol?

CompoundList lists 1 supplier of Brusatol in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Brusatol?

Suppliers quote Brusatol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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