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Screening compounds

Oteromycin

Also known as 3-((2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-((2E,4E)-4-methylhexa-2,4-dien-2-yl)-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl)-5-benzyl-5-hydroxy-1H-pyrrol-2-one, 3-[(2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one

CAS 170591-45-4Formula C32H41NO3Molar mass 487.68 g/mol
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Oteromycin chemical structure, C32H41NO3, CAS 170591-45-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170591-45-4
Formula
C32H41NO3
Molar mass
487.68 g/mol
HS code
293379
Category
Screening compounds

What is Oteromycin?

Plain description, key identifiers and synonyms

Oteromycin is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one
CAS number
170591-45-4
Molecular formula
C32H41NO3
InChIKey
LERBUEGMFSDFOI-SNGLIWLVSA-N
InChI
InChI=1S/C32H41NO3/c1-7-20(2)15-22(4)27-23(5)17-31(6)16-21(3)13-14-26(31)28(27)29(34)25-19-32(36,33-30(25)35)18-24-11-9-8-10-12-24/h7-12,15,17,19,21,26-28,36H,13-14,16,18H2,1-6H3,(H,33,35)/b20-7+,22-15+/t21-,26+,27-,28?,31+,32?/m1/s1
Canonical SMILES
CC=C(C)C=C(C)C1C(C)=CC2(C)CC(C)CCC2C1C(=O)C1=CC(O)(Cc2ccccc2)NC1=O
Isomeric SMILES
C/C=C(\C)/C=C(\C)/[C@H]1C([C@@H]2CC[C@H](C[C@]2(C=C1C)C)C)C(=O)C3=CC(NC3=O)(CC4=CC=CC=C4)O

Synonyms

  • 3-((2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-((2E,4E)-4-methylhexa-2,4-dien-2-yl)-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl)-5-benzyl-5-hydroxy-1H-pyrrol-2-one
  • 3-[(2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one

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
487.68 g/molcalc.
Exact mass
487.3086 Dacalc.
LogP (octanol/water)
6.09calc.
Topological polar surface area
66.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1NC(Cc2ccccc2)C=C1C(=O)C1CC=CC2CCCCC21

O=C1NC(Cc2ccccc2)C=C1C(=O)C1CC=CC2CCCCC21

4 rings, 25 atoms.

3 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.

Oteromycin suppliers

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

Frequently asked questions

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

What is Oteromycin?

Oteromycin is a sesquiterpenoid.

What is the CAS number of Oteromycin?

The CAS registry number of Oteromycin is 170591-45-4.

What is the molecular formula and weight of Oteromycin?

The molecular formula of Oteromycin is C32H41NO3 and its molar mass is 487.68 g/mol.

What is Oteromycin used for?

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

Is Oteromycin hazardous?

No GHS hazard classification for Oteromycin 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 Oteromycin?

Oteromycin 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 Oteromycin?

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

What is the price of Oteromycin?

Suppliers quote Oteromycin 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 Oteromycin

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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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