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Heterocyclic building blocks

Trinactin

Also known as 5,14,23-Tridemethyl-5,14,23-triethylnonactin, Akd-1D, 5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone

CAS 7561-71-9Formula C43H70O12Molar mass 779.02 g/molEC 616-244-1
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Trinactin chemical structure, C43H70O12, CAS 7561-71-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7561-71-9
Formula
C43H70O12
Molar mass
779.02 g/mol
EC number
616-244-1
HS code
293220
Category
Heterocyclic building blocks

What is Trinactin?

Plain description, key identifiers and synonyms

Trinactin is a macrolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,14,23-triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
CAS number
7561-71-9 CAS number cross-checked
EC number
616-244-1
Molecular formula
C43H70O12
MDL number
MFCD00950778
InChIKey
DFQMKYUSAALDDY-MQEBUAKTSA-N
InChI
InChI=1S/C43H70O12/c1-9-29-21-33-13-17-36(50-33)25(5)40(44)48-24(4)20-32-12-16-37(49-32)26(6)41(45)53-30(10-2)22-34-14-18-39(51-34)28(8)43(47)55-31(11-3)23-35-15-19-38(52-35)27(7)42(46)54-29/h24-39H,9-23H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-/m0/s1
Canonical SMILES
CCC1CC2CCC(O2)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)OC(CC)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
Isomeric SMILES
CC[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)CC)C)CC)C)C)C

Synonyms

  • 5,14,23-Tridemethyl-5,14,23-triethylnonactin
  • Akd-1D
  • 5,14,23-Triethyl-2,11,20,29,32-pentamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.1~7,10~.1~16,19~.1~25,28~]tetracontane-3,12,21,30-tetrone

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
779.02 g/molcalc.
Exact mass
778.4867 Dacalc.
LogP (octanol/water)
7.19calc.
Topological polar surface area
142.1 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
3calc.
Heavy atoms
55calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
16calc.
Lipinski rule of five
Fails (3 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=C1CC2CCC(CCOC(=O)CC3CCC(CCOC(=O)CC4CCC(CCOC(=O)CC5CCC(CCO1)O5)O4)O3)O2

O=C1CC2CCC(CCOC(=O)CC3CCC(CCOC(=O)CC4CCC(CCOC(=O)CC5CCC(CCO1)O5)O4)O3)O2

5 rings, 44 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.

Trinactin suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Trinactin?

Trinactin is a macrolide.

What is the CAS number of Trinactin?

The CAS registry number of Trinactin is 7561-71-9.

What is the molecular formula and weight of Trinactin?

The molecular formula of Trinactin is C43H70O12 and its molar mass is 779.02 g/mol.

What is Trinactin used for?

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

Is Trinactin hazardous?

No GHS hazard classification for Trinactin 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 Trinactin?

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

Where can I buy Trinactin?

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

What is the price of Trinactin?

Suppliers quote Trinactin 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 Trinactin

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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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