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Screening compounds

Orb3143946

CAS 2827194-69-2Formula C30H32O10Molar mass 552.58 g/mol
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Orb3143946 chemical structure, C30H32O10, CAS 2827194-69-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2827194-69-2
Formula
C30H32O10
Molar mass
552.58 g/mol
HS code
293220
Category
Screening compounds

What is Orb3143946?

Plain description, key identifiers and synonyms

Orb3143946 is a chemical substance with the molecular formula C30H32O10 and a molar mass of 552.58 g/mol. Its CAS registry number is 2827194-69-2. The IUPAC name is [(2R,3S,4S,5S,6S)-6-(8-ethyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-4,5-dihydroxy-2,4-dimethyloxan-3-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3S,4S,5S,6S)-6-(8-ethyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-4,5-dihydroxy-2,4-dimethyloxan-3-yl] acetate
CAS number
2827194-69-2
Molecular formula
C30H32O10
InChIKey
UEKURZCNWQBGRZ-RJGDZKQVSA-N
InChI
InChI=1S/C30H32O10/c1-7-15-10-18-22(20(11-15)36-5)17-12-21(37-6)24-19(32)9-8-16(23(24)25(17)40-29(18)34)26-27(33)30(4,35)28(13(2)38-26)39-14(3)31/h8-13,26-28,32-33,35H,7H2,1-6H3/t13-,26+,27+,28+,30+/m1/s1
Canonical SMILES
CCc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(C3OC(C)C(OC(C)=O)C(C)(O)C3O)c21
Isomeric SMILES
CCC1=CC2=C(C(=C1)OC)C3=C(C4=C(C=CC(=C4C(=C3)OC)O)[C@H]5[C@@H]([C@]([C@H]([C@H](O5)C)OC(=O)C)(C)O)O)OC2=O

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
552.58 g/molcalc.
Exact mass
552.1995 Dacalc.
LogP (octanol/water)
3.89calc.
Topological polar surface area
144.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
5calc.
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=c1oc2c(ccc3cccc(C4CCCCO4)c32)c2ccccc12

O=c1oc2c(ccc3cccc(C4CCCCO4)c32)c2ccccc12

5 rings, 25 atoms.

11 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.

Orb3143946 suppliers

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Where suppliers are based

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Orb3143946 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 Orb3143946 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3143946 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3143946, based on the data on this page

What is Orb3143946?

Orb3143946 is a chemical substance with the molecular formula C30H32O10 and a molar mass of 552.58 g/mol. Its CAS registry number is 2827194-69-2. The IUPAC name is [(2R,3S,4S,5S,6S)-6-(8-ethyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-4,5-dihydroxy-2,4-dimethyloxan-3-yl] acetate.

What is the CAS number of Orb3143946?

The CAS registry number of Orb3143946 is 2827194-69-2.

What is the molecular formula and weight of Orb3143946?

The molecular formula of Orb3143946 is C30H32O10 and its molar mass is 552.58 g/mol.

What is Orb3143946 used for?

Known uses and roles of Orb3143946 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3143946 hazardous?

No GHS hazard classification for Orb3143946 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 Orb3143946?

Orb3143946 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3143946?

CompoundList lists 1 supplier of Orb3143946 in Australia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3143946?

Suppliers quote Orb3143946 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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