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Screening compounds

Orb1709236

Formula C32H45NO9Molar mass 587.71 g/mol
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Orb1709236 chemical structure, C32H45NO9
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C32H45NO9
Molar mass
587.71 g/mol
HS code
293399
Category
Screening compounds

What is Orb1709236?

Plain description, key identifiers and synonyms

[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate has been reported in Aconitum balfourii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Molecular formula
C32H45NO9
InChIKey
WCJLKJORIRSXRT-QJPGOXMJSA-N
InChI
InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24+,25-,26-,27-,29+,30+,31-,32+/m1/s1
Canonical SMILES
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
Isomeric SMILES
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OC)OC)O)COC

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
587.71 g/molcalc.
Exact mass
587.3094 Dacalc.
LogP (octanol/water)
1.11calc.
Topological polar surface area
127.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
42calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
14calc.
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, O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

7 rings, 28 atoms.

175 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.

Orb1709236 suppliers

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Orb1709236 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 Orb1709236 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 Orb1709236 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1709236, based on the data on this page

What is Orb1709236?

[(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate has been reported in Aconitum balfourii.

What is the molecular formula and weight of Orb1709236?

The molecular formula of Orb1709236 is C32H45NO9 and its molar mass is 587.71 g/mol.

What is Orb1709236 used for?

Known uses and roles of Orb1709236 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1709236 hazardous?

No GHS hazard classification for Orb1709236 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 Orb1709236?

Orb1709236 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 Orb1709236?

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What is the price of Orb1709236?

Suppliers quote Orb1709236 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

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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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