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Heterocyclic building blocks

Escholerin

Also known as Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-(2-methylbutanoate) 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,6alpha,7alpha,15alpha(R),16beta)-, Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 15-((-)-2-methylbutyrate) 3-(2-methylcrotonate), (Z)-

CAS 663-93-4Formula C41H61NO13Molar mass 775.93 g/mol
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Escholerin chemical structure, C41H61NO13, CAS 663-93-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
663-93-4
Formula
C41H61NO13
Molar mass
775.93 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Escholerin?

Plain description, key identifiers and synonyms

Escholerin is a chemical substance with the molecular formula C41H61NO13 and a molar mass of 775.93 g/mol. Its CAS registry number is 663-93-4. The IUPAC name is [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23R,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-[(Z)-2-methylbut-2-enoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23R,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-[(Z)-2-methylbut-2-enoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
CAS number
663-93-4
Molecular formula
C41H61NO13
UNII
C3AAP9GKQN
InChIKey
NBNVSMQHFPYGPR-NMRCHJMFSA-N
InChI
InChI=1S/C41H61NO13/c1-10-20(4)35(46)53-27-14-15-37(8)32-30(51-22(6)43)31(52-23(7)44)33-39(37,55-41(27,32)50)16-25-24-18-42-17-19(3)12-13-26(42)38(9,48)28(24)29(45)34(40(25,33)49)54-36(47)21(5)11-2/h10,19,21,24-34,45,48-50H,11-18H2,1-9H3/b20-10-/t19-,21+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34-,37-,38+,39+,40-,41-/m0/s1
Canonical SMILES
CC=C(C)C(=O)OC1CCC2(C)C3C(OC(C)=O)C(OC(C)=O)C4C5(O)C(CC42OC13O)C1CN2CC(C)CCC2C(C)(O)C1C(O)C5OC(=O)C(C)CC
Isomeric SMILES
CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)O[C@]6([C@H](CC7)OC(=O)/C(=C\C)/C)O)C)OC(=O)C)OC(=O)C)O)O

Synonyms

  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-(2-methylbutanoate) 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,6alpha,7alpha,15alpha(R),16beta)-
  • Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 15-((-)-2-methylbutyrate) 3-(2-methylcrotonate), (Z)-

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
775.93 g/molcalc.
Exact mass
775.4143 Dacalc.
LogP (octanol/water)
2.41calc.
Topological polar surface area
198.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
7calc.
Heavy atoms
55calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.85calc.
Formal charge
0calc.
Stereocentres
18calc.
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, C1CCN2CC3C(CCC4C3CC35OC6CCCC3C6CCC45)CC2C1

C1CCN2CC3C(CCC4C3CC35OC6CCCC3C6CCC45)CC2C1

7 rings, 26 atoms.

66 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.

Escholerin suppliers

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Escholerin price

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

Frequently asked questions

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

What is Escholerin?

Escholerin is a chemical substance with the molecular formula C41H61NO13 and a molar mass of 775.93 g/mol. Its CAS registry number is 663-93-4.

What is the CAS number of Escholerin?

The CAS registry number of Escholerin is 663-93-4.

What is the molecular formula and weight of Escholerin?

The molecular formula of Escholerin is C41H61NO13 and its molar mass is 775.93 g/mol.

What is Escholerin used for?

Known uses and roles of Escholerin include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Escholerin hazardous?

No GHS hazard classification for Escholerin 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 Escholerin?

Escholerin 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 Escholerin?

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

What is the price of Escholerin?

Suppliers quote Escholerin 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 Escholerin

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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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