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Screening compounds

Othonnine

Also known as 17,18-Dinorcrotalanan-11,15-dione, 12-ethyl-14,19-dihydro-12,13-dihydroxy-19-methyl-, (12xi,13beta)-, (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, (4r,13ar,13br)-5-ethyl-4,5-dihydroxy-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione

CAS 119565-25-2Formula C18H27NO6Molar mass 353.42 g/mol
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Othonnine chemical structure, C18H27NO6, CAS 119565-25-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
119565-25-2
Formula
C18H27NO6
Molar mass
353.42 g/mol
HS code
293499
Category
Screening compounds

What is Othonnine?

Plain description, key identifiers and synonyms

Othonnine is a chemical substance with the molecular formula C18H27NO6 and a molar mass of 353.42 g/mol. Its CAS registry number is 119565-25-2. The IUPAC name is (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
CAS number
119565-25-2 CAS number cross-checked
Molecular formula
C18H27NO6
InChIKey
PHBXHCOARFTKGZ-PGJZFTLKSA-N
InChI
InChI=1S/C18H27NO6/c1-4-18(23)15(20)13(10(2)3)16(21)25-12-6-8-19-7-5-11(14(12)19)9-24-17(18)22/h5,10,12-15,20,23H,4,6-9H2,1-3H3/t12-,13?,14-,15-,18?/m1/s1
Canonical SMILES
CCC1(O)C(=O)OCC2=CCN3CCC(OC(=O)C(C(C)C)C1O)C23
Isomeric SMILES
CCC1([C@@H](C(C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O

Synonyms

  • 17,18-Dinorcrotalanan-11,15-dione, 12-ethyl-14,19-dihydro-12,13-dihydroxy-19-methyl-, (12xi,13beta)-
  • (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
  • (4r,13ar,13br)-5-ethyl-4,5-dihydroxy-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(5R,13aR,13bR)- (9CI)
  • 5-Ethyl-4,5-dihydroxy-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

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
353.42 g/molcalc.
Exact mass
353.1838 Dacalc.
LogP (octanol/water)
0.24calc.
Topological polar surface area
96.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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=C1CCCC(=O)OC2CCN3CC=C(CO1)C23

O=C1CCCC(=O)OC2CCN3CC=C(CO1)C23

3 rings, 18 atoms.

32 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.

Othonnine suppliers

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

Frequently asked questions

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

What is Othonnine?

Othonnine is a chemical substance with the molecular formula C18H27NO6 and a molar mass of 353.42 g/mol. Its CAS registry number is 119565-25-2. The IUPAC name is (1R,5R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.

What is the CAS number of Othonnine?

The CAS registry number of Othonnine is 119565-25-2.

What is the molecular formula and weight of Othonnine?

The molecular formula of Othonnine is C18H27NO6 and its molar mass is 353.42 g/mol.

What is Othonnine used for?

Known uses and roles of Othonnine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Othonnine hazardous?

No GHS hazard classification for Othonnine 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 Othonnine?

Othonnine 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 Othonnine?

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What is the price of Othonnine?

Suppliers quote Othonnine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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