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Screening compounds

Adenanthin

Also known as [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate, ((1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate, Adenanthin A

CAS 85873-93-4Formula C26H34O9Molar mass 490.55 g/mol
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Adenanthin chemical structure, C26H34O9, CAS 85873-93-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85873-93-4
Formula
C26H34O9
Molar mass
490.55 g/mol
HS code
291539
Category
Screening compounds

What is Adenanthin?

Plain description, key identifiers and synonyms

(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-bis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate has been reported in Isodon calcicola, Isodon nervosus, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CAS number
85873-93-4Other or deprecated CAS: 111917-59-0
Molecular formula
C26H34O9
InChIKey
WQVYSFSBBFDGRG-FYHXSELJSA-N
InChI
InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,23+,25+,26+/m1/s1
Canonical SMILES
C=C1C(=O)C23CC1CC(OC(C)=O)C2C1(C)C(OC(C)=O)CC(O)C(C)(C)C1C(=O)C3OC(C)=O
Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4C(=O)[C@@H]3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C

Synonyms

  • [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
  • ((1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate
  • Adenanthin A
  • (1S,3S,4aR,6R,6aR,9S,11S,11aS,11bS)-3-hydroxy-4,4,11b-trimethyl-8-methylene-5,7-dioxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-1,6,11-triyl triacetate
  • (1alpha,3beta,7beta,11beta)-1,7,11-Tris(acetyloxy)-3-hydroxykaur-16-ene-6,15-dione
  • (1,3,7,11)-1,7,11-Tris(acetyloxy)-3-hydroxykaur-16-ene-6,15-dione
  • (1|_,3|_,7|_,11|_)-1,7,11-Tris(acetyloxy)-3-hydroxykaur-16-ene-6,15-dione

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
490.55 g/molcalc.
Exact mass
490.2203 Dacalc.
LogP (octanol/water)
1.93calc.
Topological polar surface area
133.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1C(=O)C23CC(=O)C4CCCCC4C2CCC1C3

C=C1C(=O)C23CC(=O)C4CCCCC4C2CCC1C3

4 rings, 19 atoms.

4 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.

Adenanthin suppliers

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1 supplier in 0 countries

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Adenanthin 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 Adenanthin is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Adenanthin?

(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-bis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate has been reported in Isodon calcicola, Isodon nervosus, and other organisms.

What is the CAS number of Adenanthin?

The CAS registry number of Adenanthin is 85873-93-4. Other or deprecated CAS numbers: 111917-59-0.

What is the molecular formula and weight of Adenanthin?

The molecular formula of Adenanthin is C26H34O9 and its molar mass is 490.55 g/mol.

What is Adenanthin used for?

Known uses and roles of Adenanthin include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Adenanthin hazardous?

No GHS hazard classification for Adenanthin 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 Adenanthin?

Adenanthin is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Adenanthin?

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

What is the price of Adenanthin?

Suppliers quote Adenanthin 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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