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Screening compounds

Brassicicene E

Also known as [(1E,3S,4R,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl] acetate, ((1E,3S,4R,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo(9.3.0.03,7)tetradeca-1,6-dienyl) acetate, Brabetaicicene E

CAS 240481-40-7Formula C23H34O7Molar mass 422.52 g/mol
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Brassicicene E chemical structure, C23H34O7, CAS 240481-40-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
240481-40-7
Formula
C23H34O7
Molar mass
422.52 g/mol
HS code
291539
Category
Screening compounds

What is Brassicicene E?

Plain description, key identifiers and synonyms

Brabetaicicene E is a diterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1E,3S,4R,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl] acetate
CAS number
240481-40-7
Molecular formula
C23H34O7
InChIKey
BXZRFNRVGCBGTM-ZXHYCMTBSA-N
InChI
InChI=1S/C23H34O7/c1-12(2)19-16-9-18(25)13(3)15-7-8-22(27,11-29-6)17(15)10-23(16,28)21(5,20(19)26)30-14(4)24/h10,12-13,15,18,25,27-28H,7-9,11H2,1-6H3/b17-10+/t13-,15+,18+,21+,22+,23+/m1/s1
Canonical SMILES
COCC1(O)CCC2C1=CC1(O)C(=C(C(C)C)C(=O)C1(C)OC(C)=O)CC(O)C2C
Isomeric SMILES
C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@@]3(C(=C(C(=O)[C@]3(C)OC(=O)C)C(C)C)C[C@@H]1O)O)(COC)O

Synonyms

  • [(1E,3S,4R,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl] acetate
  • ((1E,3S,4R,9S,10R,11S,14R)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo(9.3.0.03,7)tetradeca-1,6-dienyl) acetate
  • Brabetaicicene E

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
422.52 g/molcalc.
Exact mass
422.2305 Dacalc.
LogP (octanol/water)
1.69calc.
Topological polar surface area
113.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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=C2CCCC3CCCC3=CC2C1

O=C1C=C2CCCC3CCCC3=CC2C1

3 rings, 15 atoms.

2 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.

Brassicicene E suppliers

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Brassicicene E 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 Brassicicene E is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Brassicicene E, based on the data on this page

What is Brassicicene E?

Brabetaicicene E is a diterpenoid.

What is the CAS number of Brassicicene E?

The CAS registry number of Brassicicene E is 240481-40-7.

What is the molecular formula and weight of Brassicicene E?

The molecular formula of Brassicicene E is C23H34O7 and its molar mass is 422.52 g/mol.

What is Brassicicene E used for?

Known uses and roles of Brassicicene E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Brassicicene E hazardous?

No GHS hazard classification for Brassicicene E 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 Brassicicene E?

Brassicicene E is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brassicicene E?

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

What is the price of Brassicicene E?

Suppliers quote Brassicicene E 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 Brassicicene E

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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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