CompoundList
Sign in
Screening compounds

Orb3141684

CAS 301823-84-7Formula C27H36O7Molar mass 472.58 g/mol
Get quotes Safety data
Orb3141684 chemical structure, C27H36O7, CAS 301823-84-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
301823-84-7
Formula
C27H36O7
Molar mass
472.58 g/mol
HS code
291719
Category
Screening compounds

What is Orb3141684?

Plain description, key identifiers and synonyms

Orb3141684 is a chemical substance with the molecular formula C27H36O7 and a molar mass of 472.58 g/mol. Its CAS registry number is 301823-84-7. The IUPAC name is 10-O-[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl (2E,4E,6E,8Z)-deca-2,4,6,8-tetraenedioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
10-O-[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl (2E,4E,6E,8Z)-deca-2,4,6,8-tetraenedioate
CAS number
301823-84-7
Molecular formula
C27H36O7
InChIKey
NWHKXUNHXNCFFG-DNXOAOJMSA-N
InChI
InChI=1S/C27H36O7/c1-19(2)14-15-21-26(3,34-21)25-24(31-5)20(16-17-27(25)18-32-27)33-23(29)13-11-9-7-6-8-10-12-22(28)30-4/h6-14,20-21,24-25H,15-18H2,1-5H3/b8-6+,9-7+,12-10+,13-11-/t20-,21-,24-,25-,26+,27+/m1/s1
Canonical SMILES
COC(=O)C=CC=CC=CC=CC(=O)OC1CCC2(CO2)C(C2(C)OC2CC=C(C)C)C1OC
Isomeric SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C\C=C\C=C\C=C\C(=O)OC)OC)C

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
472.58 g/molcalc.
Exact mass
472.2461 Dacalc.
LogP (octanol/water)
4calc.
Topological polar surface area
86.89 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C1CCC2(CO2)C(C2CO2)C1

C1CCC2(CO2)C(C2CO2)C1

3 rings, 11 atoms.

14 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.

Orb3141684 suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Orb3141684 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3141684 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.

Get latest price

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 Orb3141684 is traded under.

HS 2917.19Indicative HS code

Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$718M
+8.1% vs 2023, imports $915M
2019 to 2024
Top exporters
  1. China46.6%
  2. United States13.7%
  3. Germany10.1%
Top importers
  1. United States16.2%
  2. Denmark11.8%
  3. Germany10.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3141684 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3141684, based on the data on this page

What is Orb3141684?

Orb3141684 is a chemical substance with the molecular formula C27H36O7 and a molar mass of 472.58 g/mol. Its CAS registry number is 301823-84-7.

What is the CAS number of Orb3141684?

The CAS registry number of Orb3141684 is 301823-84-7.

What is the molecular formula and weight of Orb3141684?

The molecular formula of Orb3141684 is C27H36O7 and its molar mass is 472.58 g/mol.

What is Orb3141684 used for?

Known uses and roles of Orb3141684 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3141684 hazardous?

No GHS hazard classification for Orb3141684 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 Orb3141684?

Orb3141684 is usually classified under HS code 291719 (Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3141684?

Post a free request on CompoundList and suppliers of Orb3141684 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3141684?

Suppliers quote Orb3141684 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 Orb3141684

Get quotes for Orb3141684

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3141684
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb3141684 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb3141684-301823-84-7" title="Orb3141684 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 291719

Price on request
Free quotes, contact stays private
Get quotes