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Screening compounds

Alpha-diversonolic ester

Also known as methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2H-xanthene-1-carboxylate, (7R,8R)-Alpha-Diversonolic Ester, methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate

CAS 87612-01-9Formula C16H16O7Molar mass 320.30 g/mol
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Alpha-diversonolic ester chemical structure, C16H16O7, CAS 87612-01-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87612-01-9
Formula
C16H16O7
Molar mass
320.30 g/mol
HS code
293299
Category
Screening compounds

What is Alpha-diversonolic ester?

Plain description, key identifiers and synonyms

(7R,8R)-alpha-diversonolic ester is a member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a methyl ester, a tertiary alcohol, a member of phenols, a secondary alcohol and a member of xanthones.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2H-xanthene-1-carboxylate
CAS number
87612-01-9
Molecular formula
C16H16O7
InChIKey
YZMBEUQMDLBCDY-BZNIZROVSA-N
InChI
InChI=1S/C16H16O7/c1-7-5-8(17)12-10(6-7)23-9-3-4-11(18)16(21,15(20)22-2)13(9)14(12)19/h5-6,11,17-18,21H,3-4H2,1-2H3/t11-,16+/m1/s1
Canonical SMILES
COC(=O)C1(O)c2c(oc3cc(C)cc(O)c3c2=O)CCC1O
Isomeric SMILES
CC1=CC(=C2C(=C1)OC3=C(C2=O)[C@@]([C@@H](CC3)O)(C(=O)OC)O)O

Synonyms

  • methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2H-xanthene-1-carboxylate
  • (7R,8R)-Alpha-Diversonolic Ester
  • methyl (1R,2R)-1,2,8-trihydroxy-6-methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate
  • Methyl (1R,2R)-2,3,4,9-tetrahydro-1,2,8-trihydroxy-6-methyl-9-oxo-1H-xanthene-1-carboxylate

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
320.30 g/molcalc.
Exact mass
320.0896 Dacalc.
LogP (octanol/water)
0.47calc.
Topological polar surface area
117.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
2calc.
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, O=c1c2c(oc3ccccc13)CCCC2

O=c1c2c(oc3ccccc13)CCCC2

3 rings, 15 atoms.

7 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.

Alpha-diversonolic ester suppliers

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Alpha-diversonolic ester 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

Roles

  • Aspergillus metabolite
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite

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

Frequently asked questions

Quick answers about Alpha-diversonolic ester, based on the data on this page

What is Alpha-diversonolic ester?

(7R,8R)-alpha-diversonolic ester is a member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer).

What is the CAS number of Alpha-diversonolic ester?

The CAS registry number of Alpha-diversonolic ester is 87612-01-9.

What is the molecular formula and weight of Alpha-diversonolic ester?

The molecular formula of Alpha-diversonolic ester is C16H16O7 and its molar mass is 320.30 g/mol.

What is Alpha-diversonolic ester used for?

Known uses and roles of Alpha-diversonolic ester include building blocks in research and laboratory, screening compounds in research and laboratory, aspergillus metabolite, eukaryotic metabolite, fungal metabolite and 1 more.

Is Alpha-diversonolic ester hazardous?

No GHS hazard classification for Alpha-diversonolic ester 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 Alpha-diversonolic ester?

Alpha-diversonolic ester 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 Alpha-diversonolic ester?

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

What is the price of Alpha-diversonolic ester?

Suppliers quote Alpha-diversonolic ester 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 Alpha-diversonolic ester

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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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