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Heterocyclic building blocks

Desatrine

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

CAS 6746-01-6Formula C36H55NO12Molar mass 693.83 g/mol
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Desatrine chemical structure, C36H55NO12, CAS 6746-01-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6746-01-6
Formula
C36H55NO12
Molar mass
693.83 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Desatrine?

Plain description, key identifiers and synonyms

Desatrine is a chemical substance with the molecular formula C36H55NO12 and a molar mass of 693.83 g/mol. Its CAS registry number is 6746-01-6. The IUPAC name is [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23R,25R)-16,17-diacetyloxy-10,12,14,22,23-pentahydroxy-6,10,19-trimethyl-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-10,12,14,22,23-pentahydroxy-6,10,19-trimethyl-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
6746-01-6
Molecular formula
C36H55NO12
UNII
PLB0L4978Y
InChIKey
HVONCUWNOXWZCA-LJOQNBCQSA-N
InChI
InChI=1S/C36H55NO12/c1-8-17(3)31(42)48-30-25(41)24-20(15-37-14-16(2)9-10-22(37)33(24,7)43)21-13-34-29(35(21,30)44)27(47-19(5)39)26(46-18(4)38)28-32(34,6)12-11-23(40)36(28,45)49-34/h16-17,20-30,40-41,43-45H,8-15H2,1-7H3/t16-,17+,20-,21-,22-,23-,24+,25+,26-,27+,28-,29+,30-,32-,33+,34+,35-,36-/m0/s1
Canonical SMILES
CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(O)CCC3(C)C5C(OC(C)=O)C(OC(C)=O)C4C21O
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)O)O)C)OC(=O)C)OC(=O)C)O)O

Synonyms

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

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
693.83 g/molcalc.
Exact mass
693.3724 Dacalc.
LogP (octanol/water)
0.9calc.
Topological polar surface area
192.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
5calc.
Heavy atoms
49calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
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.

Desatrine suppliers

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

Frequently asked questions

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

What is Desatrine?

Desatrine is a chemical substance with the molecular formula C36H55NO12 and a molar mass of 693.83 g/mol. Its CAS registry number is 6746-01-6.

What is the CAS number of Desatrine?

The CAS registry number of Desatrine is 6746-01-6.

What is the molecular formula and weight of Desatrine?

The molecular formula of Desatrine is C36H55NO12 and its molar mass is 693.83 g/mol.

What is Desatrine used for?

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

Is Desatrine hazardous?

No GHS hazard classification for Desatrine 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 Desatrine?

Desatrine 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 Desatrine?

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What is the price of Desatrine?

Suppliers quote Desatrine 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 Desatrine

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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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