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Heterocyclic building blocks

Isariin

Also known as Isarolide, L-Valine, N-(N-(N-(N-(N-(3-hydroxy-1-oxododecyl)glycyl)-L-valyl)-D-leucyl)-L-alanyl)-, rho-lactone, (R)-, (3S,6S,9R,12S,19R)-6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

CAS 10409-85-5Formula C33H59N5O7Molar mass 637.86 g/mol
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Isariin chemical structure, C33H59N5O7, CAS 10409-85-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10409-85-5
Formula
C33H59N5O7
Molar mass
637.86 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Isariin?

Plain description, key identifiers and synonyms

Isariin has been reported in Beauveria felina and Isaria.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9R,12S,19R)-6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
CAS number
10409-85-5
Molecular formula
C33H59N5O7
InChIKey
KIJLRIARMCGDJZ-YSWCBTLJSA-N
InChI
InChI=1S/C33H59N5O7/c1-9-10-11-12-13-14-15-16-24-18-26(39)34-19-27(40)37-28(21(4)5)32(43)36-25(17-20(2)3)31(42)35-23(8)30(41)38-29(22(6)7)33(44)45-24/h20-25,28-29H,9-19H2,1-8H3,(H,34,39)(H,35,42)(H,36,43)(H,37,40)(H,38,41)/t23-,24+,25+,28-,29-/m0/s1
Canonical SMILES
CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1
Isomeric SMILES
CCCCCCCCC[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C

Synonyms

  • Isarolide
  • L-Valine, N-(N-(N-(N-(N-(3-hydroxy-1-oxododecyl)glycyl)-L-valyl)-D-leucyl)-L-alanyl)-, rho-lactone, (R)-
  • (3S,6S,9R,12S,19R)-6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
  • Cyclo[L-alanyl-L-valyl-(3R)-3-hydroxydodecanoylglycyl-L-valyl-D-leucyl]
  • 6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
  • (3S,6S,9R,12S,19R)-9-isobutyl-3,12-diisopropyl-6-methyl-19-nonyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
  • L-Valine, N-[(3R)-3-hydroxy-1-oxododecyl]glycyl-L-valyl-D-leucyl-L-alanyl-, (5.fwdarw.1)-lactone

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
637.86 g/molcalc.
Exact mass
637.4414 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
171.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
12calc.
Heavy atoms
45calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

1 ring, 25 atoms.

13 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.

Isariin suppliers

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

Frequently asked questions

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

What is Isariin?

Isariin has been reported in Beauveria felina and Isaria.

What is the CAS number of Isariin?

The CAS registry number of Isariin is 10409-85-5.

What is the molecular formula and weight of Isariin?

The molecular formula of Isariin is C33H59N5O7 and its molar mass is 637.86 g/mol.

What is Isariin used for?

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

Is Isariin hazardous?

No GHS hazard classification for Isariin 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 Isariin?

Isariin 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 Isariin?

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What is the price of Isariin?

Suppliers quote Isariin 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 Isariin

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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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