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Heterocyclic building blocks

Integerrimide A

CAS 914294-42-1Formula C40H60N8O8Molar mass 780.97 g/mol
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Integerrimide A chemical structure, C40H60N8O8, CAS 914294-42-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
914294-42-1
Formula
C40H60N8O8
Molar mass
780.97 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Integerrimide A?

Plain description, key identifiers and synonyms

Integerrimide A has been reported in Jatropha integerrima.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9S,12S,18S,21S)-3-[(1R)-1-hydroxyethyl]-18-(1H-indol-3-ylmethyl)-6,9,12-tris(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
CAS number
914294-42-1
Molecular formula
C40H60N8O8
InChIKey
MUYJIBHYNYIVBX-OZNWQLNKSA-N
InChI
InChI=1S/C40H60N8O8/c1-21(2)15-28-36(52)44-29(16-22(3)4)37(53)45-30(17-23(5)6)38(54)47-34(24(7)49)40(56)48-14-10-13-32(48)39(55)46-31(35(51)42-20-33(50)43-28)18-25-19-41-27-12-9-8-11-26(25)27/h8-9,11-12,19,21-24,28-32,34,41,49H,10,13-18,20H2,1-7H3,(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)(H,47,54)/t24-,28+,29+,30+,31+,32+,34+/m1/s1
Canonical SMILES
CC(C)CC1NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O
Isomeric SMILES
C[C@H]([C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(C)C)CC(C)C)CC3=CNC4=CC=CC=C43)O

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
780.97 g/molcalc.
Exact mass
780.4534 Dacalc.
LogP (octanol/water)
0.77calc.
Topological polar surface area
230.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
56calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1CNC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)CNC(=O)CN1

O=C1CNC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)CNC(=O)CN1

4 rings, 41 atoms.

1 other chemical 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.

Integerrimide A suppliers

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Integerrimide A 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 Integerrimide A is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Integerrimide A, based on the data on this page

What is Integerrimide A?

Integerrimide A has been reported in Jatropha integerrima.

What is the CAS number of Integerrimide A?

The CAS registry number of Integerrimide A is 914294-42-1.

What is the molecular formula and weight of Integerrimide A?

The molecular formula of Integerrimide A is C40H60N8O8 and its molar mass is 780.97 g/mol.

What is Integerrimide A used for?

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

Is Integerrimide A hazardous?

No GHS hazard classification for Integerrimide A 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 Integerrimide A?

Integerrimide A is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Integerrimide A?

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

What is the price of Integerrimide A?

Suppliers quote Integerrimide A 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 Integerrimide A

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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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