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Aliphatic and alicyclic building blocks

Bupleurotoxin

Also known as (2Z,8E,10E,14S)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol, 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (Z,E,E)-, 14-Hydroxy-bupleurynol

CAS 111128-27-9Formula C17H22O2Molar mass 258.36 g/mol
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Bupleurotoxin chemical structure, C17H22O2, CAS 111128-27-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
111128-27-9
Formula
C17H22O2
Molar mass
258.36 g/mol
HS code
290539
Category
Aliphatic and alicyclic building blocks

What is Bupleurotoxin?

Plain description, key identifiers and synonyms

bupleurotoxin has been reported in Bupleurum chinense and Bupleurum longiradiatum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2Z,8E,10E,14S)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
CAS number
111128-27-9
Molecular formula
C17H22O2
UNII
47M62W36U4
InChIKey
UPXPHJXYZGEBCW-PFTJZPSUSA-N
InChI
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m0/s1
Canonical SMILES
CCCC(O)CCC=CC=CC#CC#CC=CCO
Isomeric SMILES
CCC[C@@H](CC/C=C/C=C/C#CC#C/C=C\CO)O

Synonyms

  • (2Z,8E,10E,14S)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
  • 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (Z,E,E)-
  • 14-Hydroxy-bupleurynol
  • (+)-Bupleurotoxin
  • Heptadeca-2Z,8E,10E-trien-4,6-diyne-1,14S-diol
  • (2Z,8E,10E,14S)-hydroxyheptadecatriene-4,6-diyn-1-ol
  • (S,2Z,8E,10E)-Heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
  • 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (14S,2Z,8E,10E)-

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
258.36 g/molcalc.
Exact mass
258.162 Dacalc.
LogP (octanol/water)
2.6calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
19calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Bupleurotoxin suppliers

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Bupleurotoxin 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 Bupleurotoxin is traded under.

HS 2905.39Indicative HS code

Diols, other

World exports in 2024
$1.92B
−3.5% vs 2023, imports $2B
2019 to 2024
Top exporters
  1. China22.3%
  2. United States17.9%
  3. Germany16.1%
Top importers
  1. Germany12.0%
  2. China11.3%
  3. South Korea10.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Bupleurotoxin?

bupleurotoxin has been reported in Bupleurum chinense and Bupleurum longiradiatum.

What is the CAS number of Bupleurotoxin?

The CAS registry number of Bupleurotoxin is 111128-27-9.

What is the molecular formula and weight of Bupleurotoxin?

The molecular formula of Bupleurotoxin is C17H22O2 and its molar mass is 258.36 g/mol.

What is Bupleurotoxin used for?

Known uses and roles of Bupleurotoxin include building blocks in research and laboratory.

Is Bupleurotoxin hazardous?

No GHS hazard classification for Bupleurotoxin 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 Bupleurotoxin?

Bupleurotoxin is usually classified under HS code 290539 (Diols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bupleurotoxin?

Post a free request on CompoundList and suppliers of Bupleurotoxin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bupleurotoxin?

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

Guides for buyers

Practical guides that help when you source, ship or handle Bupleurotoxin

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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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