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Heterocyclic compounds

Omphalotin A

Also known as Omphalotin

CAS 186511-50-2Formula C69H115N13O12Molar mass 1,318.76 g/mol
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Omphalotin A chemical structure, C69H115N13O12, CAS 186511-50-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
186511-50-2
Formula
C69H115N13O12
Molar mass
1,318.76 g/mol
HS code
293379
Category
Heterocyclic compounds

What is Omphalotin A?

Plain description, key identifiers and synonyms

Omphalotin A has been reported in Omphalotus olearius.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9S,12S,15S,21S,24S,30S,33S)-9,21,30-tris[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-1,4,7,13,19,22,28,31,34-nonamethyl-3,6,12,24,33-penta(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CAS number
186511-50-2
Molecular formula
C69H115N13O12
InChIKey
RPRXGEAIZUOLRT-SNXGSGAFSA-N
InChI
InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86)/t43-,44-,45-,49-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C(C(C)C)N(C)C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)NC(=O)CN(C)C(=O)C(C(C)CC)N(C)C(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C(C)C)C)CC2=CNC3=CC=CC=C32)C)[C@@H](C)CC)C)C(C)C)C)[C@@H](C)CC)C)C(C)C)C)C)C(C)C)C)C(C)C)C

Synonyms

  • Omphalotin

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
1,318.76 g/molcalc.
Exact mass
1,317.8788 Dacalc.
LogP (octanol/water)
3.93calc.
Topological polar surface area
285.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
13calc.
Heavy atoms
94calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
12calc.
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, O=C1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

O=C1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

3 rings, 58 atoms.

No other chemical in our database has 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.

Omphalotin A suppliers

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Omphalotin A 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

Quick answers about Omphalotin A, based on the data on this page

What is Omphalotin A?

Omphalotin A has been reported in Omphalotus olearius.

What is the CAS number of Omphalotin A?

The CAS registry number of Omphalotin A is 186511-50-2.

What is the molecular formula and weight of Omphalotin A?

The molecular formula of Omphalotin A is C69H115N13O12 and its molar mass is 1,318.76 g/mol.

Is Omphalotin A hazardous?

No GHS hazard classification for Omphalotin A 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 Omphalotin A?

Omphalotin A 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 Omphalotin A?

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What is the price of Omphalotin A?

Suppliers quote Omphalotin A 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

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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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