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Screening compounds

Dehydrobrowniine

Also known as 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one, 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-one, 14-Dehydrobrowniine

CAS 4829-56-5Formula C25H39NO7Molar mass 465.59 g/mol
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Dehydrobrowniine chemical structure, C25H39NO7, CAS 4829-56-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4829-56-5
Formula
C25H39NO7
Molar mass
465.59 g/mol
HS code
293399
Category
Screening compounds

What is Dehydrobrowniine?

Plain description, key identifiers and synonyms

Dehydrobrowniine has been reported in Delphinium barbeyi, Delphinium glaucescens, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
CAS number
4829-56-5 CAS number cross-checked
Molecular formula
C25H39NO7
InChIKey
MWOQLGAENOKSHS-UHFFFAOYSA-N
InChI
InChI=1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3
SMILES (canonical and isomeric)
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6=O)OC)O)O)OC)OC)COC

Synonyms

  • 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
  • 11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-one
  • 14-Dehydrobrowniine
  • 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-one
  • Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,16-beta)-
  • (2,3-Dichloropropyl)dimethylamine
  • Aconitan-14-one, 20-ethyl-7,8-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-, (1alpha,6beta,16beta)-

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
465.59 g/molcalc.
Exact mass
465.2727 Dacalc.
LogP (octanol/water)
0.48calc.
Topological polar surface area
97.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
12calc.
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=C1C2CCC3C4CC5C6CCCC5(C(C2)C13)C4NC6

O=C1C2CCC3C4CC5C6CCCC5(C(C2)C13)C4NC6

6 rings, 20 atoms.

10 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.

Dehydrobrowniine suppliers

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Dehydrobrowniine 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 Dehydrobrowniine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Dehydrobrowniine?

Dehydrobrowniine has been reported in Delphinium barbeyi, Delphinium glaucescens, and other organisms.

What is the CAS number of Dehydrobrowniine?

The CAS registry number of Dehydrobrowniine is 4829-56-5.

What is the molecular formula and weight of Dehydrobrowniine?

The molecular formula of Dehydrobrowniine is C25H39NO7 and its molar mass is 465.59 g/mol.

What is Dehydrobrowniine used for?

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

Is Dehydrobrowniine hazardous?

No GHS hazard classification for Dehydrobrowniine 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 Dehydrobrowniine?

Dehydrobrowniine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dehydrobrowniine?

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

What is the price of Dehydrobrowniine?

Suppliers quote Dehydrobrowniine 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 Dehydrobrowniine

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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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