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Screening compounds

Orb1681647

Formula C28H38O7Molar mass 486.61 g/mol
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Orb1681647 chemical structure, C28H38O7
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C28H38O7
Molar mass
486.61 g/mol
HS code
293299
Category
Screening compounds

What is Orb1681647?

Plain description, key identifiers and synonyms

Orb1681647 is a chemical substance with the molecular formula C28H38O7 and a molar mass of 486.61 g/mol. The IUPAC name is (2R,3R,4R,6R)-6-[[(1R,4R,5R,8S,16S,19S)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11,13-trien-8-yl]oxy]-4-methoxy-2-methyloxan-3-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4R,6R)-6-[[(1R,4R,5R,8S,16S,19S)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11,13-trien-8-yl]oxy]-4-methoxy-2-methyloxan-3-ol
Molecular formula
C28H38O7
InChIKey
KNFHQIUXHMJLPI-BMWQXASRSA-N
InChI
InChI=1S/C28H38O7/c1-15-23(29)20(30-4)12-22(33-15)34-17-7-9-26(2)16(11-17)5-6-18-19(26)8-10-28-14-32-27(3)24(28)21(13-31-27)35-25(18)28/h5-6,11,15,17,19-24,29H,7-10,12-14H2,1-4H3/t15-,17+,19+,20-,21-,22+,23-,24?,26+,27-,28+/m1/s1
Canonical SMILES
COC1CC(OC2C=C3C=CC4=C5OC6COC7(C)OCC5(CCC4C3(C)CC2)C67)OC(C)C1O
Isomeric SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]56CO[C@@]7(C5[C@@H](CO7)OC6=C4C=CC3=C2)C)C)OC)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
486.61 g/molcalc.
Exact mass
486.2618 Dacalc.
LogP (octanol/water)
3.62calc.
Topological polar surface area
75.61 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
35calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
11calc.
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, C1=CC2=C3OC4COC5OCC3(CCC2C2CCC(OC3CCCCO3)C=C12)C45

C1=CC2=C3OC4COC5OCC3(CCC2C2CCC(OC3CCCCO3)C=C12)C45

7 rings, 29 atoms.

3 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.

Orb1681647 suppliers

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Orb1681647 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 Orb1681647 is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1681647 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1681647, based on the data on this page

What is Orb1681647?

Orb1681647 is a chemical substance with the molecular formula C28H38O7 and a molar mass of 486.61 g/mol. The IUPAC name is (2R,3R,4R,6R)-6-[[(1R,4R,5R,8S,16S,19S)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11,13-trien-8-yl]oxy]-4-methoxy-2-methyloxan-3-ol.

What is the molecular formula and weight of Orb1681647?

The molecular formula of Orb1681647 is C28H38O7 and its molar mass is 486.61 g/mol.

What is Orb1681647 used for?

Known uses and roles of Orb1681647 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1681647 hazardous?

No GHS hazard classification for Orb1681647 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 Orb1681647?

Orb1681647 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1681647?

Post a free request on CompoundList and suppliers of Orb1681647 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1681647?

Suppliers quote Orb1681647 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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