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Heterocyclic building blocks

Demethomycin

Also known as Tacrolimus 31-DMT

CAS 127984-76-3Formula C43H67NO12Molar mass 790.00 g/mol
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Demethomycin chemical structure, C43H67NO12, CAS 127984-76-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
127984-76-3
Formula
C43H67NO12
Molar mass
790.00 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Demethomycin?

Plain description, key identifiers and synonyms

Demethomycin is a chemical substance with the molecular formula C43H67NO12 and a molar mass of 790.00 g/mol. Its CAS registry number is 127984-76-3. The IUPAC name is (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
CAS number
127984-76-3
Molecular formula
C43H67NO12
InChIKey
VHOPGJHKSPGXIZ-NURRSENYSA-N
InChI
InChI=1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
Canonical SMILES
C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(O)C3)C(C)C(O)CC1=O)C(C)CC2OC
Isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)O)O)/C)O)C)OC)OC

Synonyms

  • Tacrolimus 31-DMT

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
790.00 g/molcalc.
Exact mass
789.4663 Dacalc.
LogP (octanol/water)
3.98calc.
Topological polar surface area
189.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
56calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
14calc.
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=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

4 rings, 40 atoms.

74 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.

Demethomycin suppliers

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Demethomycin 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 Demethomycin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Demethomycin?

Demethomycin is a chemical substance with the molecular formula C43H67NO12 and a molar mass of 790.00 g/mol. Its CAS registry number is 127984-76-3.

What is the CAS number of Demethomycin?

The CAS registry number of Demethomycin is 127984-76-3.

What is the molecular formula and weight of Demethomycin?

The molecular formula of Demethomycin is C43H67NO12 and its molar mass is 790.00 g/mol.

What is Demethomycin used for?

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

Is Demethomycin hazardous?

No GHS hazard classification for Demethomycin 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 Demethomycin?

Demethomycin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demethomycin?

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

What is the price of Demethomycin?

Suppliers quote Demethomycin 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 Demethomycin

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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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