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Screening compounds

Orb2279508

CAS 82893-33-2Formula C25H28O8Molar mass 456.49 g/mol
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Orb2279508 chemical structure, C25H28O8, CAS 82893-33-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82893-33-2
Formula
C25H28O8
Molar mass
456.49 g/mol
HS code
293220
Category
Screening compounds

What is Orb2279508?

Plain description, key identifiers and synonyms

(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione has been reported in Aspergillus ustus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione
CAS number
82893-33-2
Molecular formula
C25H28O8
InChIKey
IQBUQLYYAHHCGX-GETWQMLSSA-N
InChI
InChI=1S/C25H28O8/c1-12-21(7)16(27)24-13(2)22(9-8-15(26)31-19(22,4)5)11-10-20(24,6)23(12)17(28)30-14(3)25(23,33-24)18(29)32-21/h8-9,14,16,27H,1-2,10-11H2,3-7H3/t14-,16-,20-,21+,22+,23+,24+,25?/m1/s1
Canonical SMILES
C=C1C2(C=CC(=O)OC2(C)C)CCC2(C)C13OC14C(=O)OC(C)(C(=C)C12C(=O)OC4C)C3O
Isomeric SMILES
C[C@@H]1C23C(=O)O[C@@]4([C@H]([C@@]5(O2)C(=C)[C@@]6(CC[C@@]5([C@]3(C4=C)C(=O)O1)C)C=CC(=O)OC6(C)C)O)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
456.49 g/molcalc.
Exact mass
456.1784 Dacalc.
LogP (octanol/water)
1.91calc.
Topological polar surface area
108.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
0calc.
Heavy atoms
33calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
8calc.
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, C=C1C2(C=CC(=O)OC2)CCC2C13CC1OC(=O)C4(COC(=O)C24C1=C)O3

C=C1C2(C=CC(=O)OC2)CCC2C13CC1OC(=O)C4(COC(=O)C24C1=C)O3

6 rings, 27 atoms.

1 other chemical 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.

Orb2279508 suppliers

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Orb2279508 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 Orb2279508 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 Orb2279508 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2279508, based on the data on this page

What is Orb2279508?

(1S,2R,5R,7R,8R,9S,13R)-8-hydroxy-2,6',6',9,13-pentamethyl-6,16-dimethylidenespiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,5'-pyran]-2',11,15-trione has been reported in Aspergillus ustus.

What is the CAS number of Orb2279508?

The CAS registry number of Orb2279508 is 82893-33-2.

What is the molecular formula and weight of Orb2279508?

The molecular formula of Orb2279508 is C25H28O8 and its molar mass is 456.49 g/mol.

What is Orb2279508 used for?

Known uses and roles of Orb2279508 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2279508 hazardous?

No GHS hazard classification for Orb2279508 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 Orb2279508?

Orb2279508 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2279508?

Post a free request on CompoundList and suppliers of Orb2279508 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2279508?

Suppliers quote Orb2279508 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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