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Screening compounds

Delbine

Also known as Delbine (Delphinium), Aconitane-1,4,7,8,14-pentol, 20-ethyl-6,16-dimethoxy-, (1alpha,6beta,14alpha,16beta)-, (1S,2R,3R,4R,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8,9,13,16-pentol

CAS 1356-54-3Formula C22H35NO7Molar mass 425.52 g/mol
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Delbine chemical structure, C22H35NO7, CAS 1356-54-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1356-54-3
Formula
C22H35NO7
Molar mass
425.52 g/mol
HS code
293399
Category
Screening compounds

What is Delbine?

Plain description, key identifiers and synonyms

Delbine has been reported in Ertela trifolia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,3R,4R,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,13,16-pentol
CAS number
1356-54-3Other or deprecated CAS: 77145-73-4
Molecular formula
C22H35NO7
InChIKey
KQFJWNFKSIQXPX-JBVFEIDLSA-N
InChI
InChI=1S/C22H35NO7/c1-4-23-9-19(26)6-5-13(24)21-11-7-10-12(29-2)8-20(27,14(11)15(10)25)22(28,18(21)23)17(30-3)16(19)21/h10-18,24-28H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
Canonical SMILES
CCN1CC2(O)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14
Isomeric SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@@H]6O)OC)O)O)OC)O)O

Synonyms

  • Delbine (Delphinium)
  • Aconitane-1,4,7,8,14-pentol, 20-ethyl-6,16-dimethoxy-, (1alpha,6beta,14alpha,16beta)-
  • (1S,2R,3R,4R,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,8,9,13,16-pentol
  • (1S,2R,3R,4R,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,13,16-pentol

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
425.52 g/molcalc.
Exact mass
425.2414 Dacalc.
LogP (octanol/water)
-1.28calc.
Topological polar surface area
122.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
13calc.
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, C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

6 rings, 19 atoms.

124 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.

Delbine suppliers

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Delbine 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 Delbine 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 Delbine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Delbine?

Delbine has been reported in Ertela trifolia.

What is the CAS number of Delbine?

The CAS registry number of Delbine is 1356-54-3. Other or deprecated CAS numbers: 77145-73-4.

What is the molecular formula and weight of Delbine?

The molecular formula of Delbine is C22H35NO7 and its molar mass is 425.52 g/mol.

What is Delbine used for?

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

Is Delbine hazardous?

No GHS hazard classification for Delbine 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 Delbine?

Delbine 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 Delbine?

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What is the price of Delbine?

Suppliers quote Delbine 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 Delbine

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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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