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Screening compounds

Kadangustin E

Also known as ((8S,9S,10R,11S)-11-acetyloxy-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo(10.4.0.02,7)hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate, [(8S,9S,10R,11S)-11-acetyloxy-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate

CAS 1013633-23-2Formula C32H36O10Molar mass 580.63 g/mol
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Kadangustin E chemical structure, C32H36O10, CAS 1013633-23-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1013633-23-2
Formula
C32H36O10
Molar mass
580.63 g/mol
HS code
291631
Category
Screening compounds

What is Kadangustin E?

Plain description, key identifiers and synonyms

Kadangustin E has been reported in Kadsura angustifolia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8S,9S,10R,11S)-11-acetyloxy-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
CAS number
1013633-23-2
Molecular formula
C32H36O10
InChIKey
ZGVQUOCWHUQALV-AOASNDSOSA-N
InChI
InChI=1S/C32H36O10/c1-16-17(2)28(42-32(35)19-12-10-9-11-13-19)20-14-22(36-4)29(38-6)26(34)24(20)25-21(27(16)41-18(3)33)15-23(37-5)30(39-7)31(25)40-8/h9-17,27-28,34H,1-8H3/t16-,17+,27+,28+/m1/s1
Canonical SMILES
COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(OC(C)=O)C(C)C(C)C2OC(=O)c1ccccc1
Isomeric SMILES
C[C@@H]1[C@@H]([C@@H](C2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@H]1OC(=O)C)OC)OC)OC)O)OC)OC)OC(=O)C4=CC=CC=C4)C

Synonyms

  • ((8S,9S,10R,11S)-11-acetyloxy-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo(10.4.0.02,7)hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate
  • [(8S,9S,10R,11S)-11-acetyloxy-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate

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
580.63 g/molcalc.
Exact mass
580.2308 Dacalc.
LogP (octanol/water)
5.89calc.
Topological polar surface area
119 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C(OC1CCCc2ccccc2-c2ccccc21)c1ccccc1

O=C(OC1CCCc2ccccc2-c2ccccc21)c1ccccc1

4 rings, 25 atoms.

8 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.

Kadangustin E suppliers

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Kadangustin E price

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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 Kadangustin E is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Kadangustin E?

Kadangustin E has been reported in Kadsura angustifolia.

What is the CAS number of Kadangustin E?

The CAS registry number of Kadangustin E is 1013633-23-2.

What is the molecular formula and weight of Kadangustin E?

The molecular formula of Kadangustin E is C32H36O10 and its molar mass is 580.63 g/mol.

What is Kadangustin E used for?

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

Is Kadangustin E hazardous?

No GHS hazard classification for Kadangustin 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 Kadangustin E?

Kadangustin E is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Kadangustin E?

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

What is the price of Kadangustin E?

Suppliers quote Kadangustin 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 Kadangustin 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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