CompoundList
Sign in
Aliphatic and alicyclic building blocks

Amitenone

Also known as Methylenediboviquinone-4,4, Methylenebis[2,5-dihydroxy-4-geranylgeranyl-3,6-benzoquinone], Methylenebis(2,5-dihydroxy-4-all-trans-gerangeranyl-3,6-benzoquinone)

CAS 21682-47-3Formula C53H72O8Molar mass 837.15 g/mol
Get quotes Safety data
Amitenone chemical structure, C53H72O8, CAS 21682-47-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21682-47-3
Formula
C53H72O8
Molar mass
837.15 g/mol
HS code
291469
Category
Aliphatic and alicyclic building blocks

What is Amitenone?

Plain description, key identifiers and synonyms

Amitenone is a diterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-1,4-dien-1-yl]methyl]-3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
CAS number
21682-47-3
Molecular formula
C53H72O8
InChIKey
LJHHBOPEDAEYGJ-JULFZRGUSA-N
InChI
InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)O)O)/C)/C)/C)C

Synonyms

  • Methylenediboviquinone-4,4
  • Methylenebis[2,5-dihydroxy-4-geranylgeranyl-3,6-benzoquinone]
  • Methylenebis(2,5-dihydroxy-4-all-trans-gerangeranyl-3,6-benzoquinone)
  • 2,2'-Methylenebis[3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)]-2,5-cyclohexadiene-1,4-dione, 9CI
  • Methylenebis(2,5-dihydroxy-4-geranylgeranyl-3,6-benzoquinone)
  • 2,2'-Methylenebis(3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl))-2,5-cyclohexadiene-1,4-dione, 9ci

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
837.15 g/molcalc.
Exact mass
836.5227 Dacalc.
LogP (octanol/water)
14calc.
Topological polar surface area
149.2 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
24calc.
Heavy atoms
61calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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=C1C=CC(=O)C(CC2=CC(=O)C=CC2=O)=C1

O=C1C=CC(=O)C(CC2=CC(=O)C=CC2=O)=C1

2 rings, 17 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.

Amitenone 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 Amitenone can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Amitenone 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 Amitenone is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Amitenone?

Amitenone is a diterpenoid.

What is the CAS number of Amitenone?

The CAS registry number of Amitenone is 21682-47-3.

What is the molecular formula and weight of Amitenone?

The molecular formula of Amitenone is C53H72O8 and its molar mass is 837.15 g/mol.

What is Amitenone used for?

Known uses and roles of Amitenone include building blocks in research and laboratory.

Is Amitenone hazardous?

No GHS hazard classification for Amitenone 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 Amitenone?

Amitenone is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Amitenone?

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

What is the price of Amitenone?

Suppliers quote Amitenone 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 Amitenone

Get quotes for Amitenone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Amitenone
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 Amitenone 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/amitenone-21682-47-3" title="Amitenone 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 Aliphatic and alicyclic building blocks or HS code 291469

Price on request
Free quotes, contact stays private
Get quotes