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Screening compounds

Deltaline

Also known as Delphelatine, Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-, 20-ethyl-10-hydroxy-1alpha,14alpha,16beta-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitan-6beta-yl acetate

CAS 6836-11-9Formula C27H41NO8Molar mass 507.62 g/mol
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Deltaline chemical structure, C27H41NO8, CAS 6836-11-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6836-11-9
Formula
C27H41NO8
Molar mass
507.62 g/mol
HS code
293499
Category
Screening compounds

What is Deltaline?

Plain description, key identifiers and synonyms

Deltaline is a diterpene alkaloid, a tertiary alcohol, an acetate ester, a tertiary amino compound, an organic polycyclic compound and a cyclic acetal. It derives from a hydride of an aconitane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate
CAS number
6836-11-9
Molecular formula
C27H41NO8
InChIKey
DTTPWCNKTMQMTE-DZZCPBQSSA-N
InChI
InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1
Canonical SMILES
CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC)C14
Isomeric SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)OC)OCO5)OC(=O)C)OC)C

Synonyms

  • Delphelatine
  • Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-
  • 20-ethyl-10-hydroxy-1alpha,14alpha,16beta-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitan-6beta-yl acetate
  • 20-ethyl-10-hydroxy-1alpha,14alpha,16beta-trimethoxy-4-methyl-7,8-(methylenebis(oxy))aconitan-6beta-yl acetate

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
507.62 g/molcalc.
Exact mass
507.2832 Dacalc.
LogP (octanol/water)
1.35calc.
Topological polar surface area
95.92 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
36calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Passes (1 violation)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, C1CC2CNC3C4(C1)C2CC31OCOC12CCC1CC4C2C1

C1CC2CNC3C4(C1)C2CC31OCOC12CCC1CC4C2C1

7 rings, 22 atoms.

19 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.

Deltaline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 1 country

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Deltaline price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Deltaline is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Deltaline?

Deltaline is a diterpene alkaloid, a tertiary alcohol, an acetate ester, a tertiary amino compound, an organic polycyclic compound and a cyclic acetal. It derives from a hydride of an aconitane.

What is the CAS number of Deltaline?

The CAS registry number of Deltaline is 6836-11-9.

What is the molecular formula and weight of Deltaline?

The molecular formula of Deltaline is C27H41NO8 and its molar mass is 507.62 g/mol.

What is Deltaline used for?

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

Is Deltaline hazardous?

No GHS hazard classification for Deltaline 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 Deltaline?

Deltaline is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deltaline?

CompoundList lists 3 suppliers of Deltaline 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 Deltaline?

Suppliers quote Deltaline 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 Deltaline

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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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