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Heterocyclic building blocks

Verticilide

CAS 693778-57-3Formula C44H76N4O12Molar mass 853.11 g/mol
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Verticilide chemical structure, C44H76N4O12, CAS 693778-57-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
693778-57-3
Formula
C44H76N4O12
Molar mass
853.11 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Verticilide?

Plain description, key identifiers and synonyms

Verticilide is a chemical substance with the molecular formula C44H76N4O12 and a molar mass of 853.11 g/mol. Its CAS registry number is 693778-57-3. The IUPAC name is (3S,6R,9S,12R,15S,18R,21S,24R)-3,4,9,10,15,16,21,22-octamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6R,9S,12R,15S,18R,21S,24R)-3,4,9,10,15,16,21,22-octamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CAS number
693778-57-3
Molecular formula
C44H76N4O12
InChIKey
CMEGQABRBDDBTQ-NQRIZWSQSA-N
InChI
InChI=1S/C44H76N4O12/c1-13-17-21-25-33-37(49)45(9)30(6)42(54)58-35(27-23-19-15-3)39(51)47(11)32(8)44(56)60-36(28-24-20-16-4)40(52)48(12)31(7)43(55)59-34(26-22-18-14-2)38(50)46(10)29(5)41(53)57-33/h29-36H,13-28H2,1-12H3/t29-,30-,31-,32-,33+,34+,35+,36+/m0/s1
Canonical SMILES
CCCCCC1OC(=O)C(C)N(C)C(=O)C(CCCCC)OC(=O)C(C)N(C)C(=O)C(CCCCC)OC(=O)C(C)N(C)C(=O)C(CCCCC)OC(=O)C(C)N(C)C1=O
Isomeric SMILES
CCCCC[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)C)C)CCCCC)C)C)CCCCC)C)C)CCCCC)C)C

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
853.11 g/molcalc.
Exact mass
852.546 Dacalc.
LogP (octanol/water)
5.36calc.
Topological polar surface area
186.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
16calc.
Heavy atoms
60calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
8calc.
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=C1COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CN1

O=C1COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CN1

1 ring, 32 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.

Verticilide suppliers

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

Frequently asked questions

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

What is Verticilide?

Verticilide is a chemical substance with the molecular formula C44H76N4O12 and a molar mass of 853.11 g/mol. Its CAS registry number is 693778-57-3.

What is the CAS number of Verticilide?

The CAS registry number of Verticilide is 693778-57-3.

What is the molecular formula and weight of Verticilide?

The molecular formula of Verticilide is C44H76N4O12 and its molar mass is 853.11 g/mol.

What is Verticilide used for?

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

Is Verticilide hazardous?

No GHS hazard classification for Verticilide 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 Verticilide?

Verticilide 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 Verticilide?

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

What is the price of Verticilide?

Suppliers quote Verticilide 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 Verticilide

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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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