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Heterocyclic building blocks

Avermectin A1a

Also known as Antibiotic c-076a1a, Antibiotic C 076A(sub 1a), Antibiotic C 076A1a

CAS 65195-51-9Formula C49H74O14Molar mass 887.12 g/mol
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Avermectin A1a chemical structure, C49H74O14, CAS 65195-51-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65195-51-9
Formula
C49H74O14
Molar mass
887.12 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Avermectin A1a?

Plain description, key identifiers and synonyms

avermectin A1a has been reported in Streptomyces avermitilis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
CAS number
65195-51-9 CAS number cross-checked
Molecular formula
C49H74O14
UNII
YRI17ZJ0WT
InChIKey
AFSHKCWTGFDXJR-SQOHEDJBSA-N
InChI
InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1
Canonical SMILES
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2
Isomeric SMILES
CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C

Synonyms

  • Antibiotic c-076a1a
  • Antibiotic C 076A(sub 1a)
  • Antibiotic C 076A1a

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
887.12 g/molcalc.
Exact mass
886.5079 Dacalc.
LogP (octanol/water)
6.03calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
9calc.
Heavy atoms
63calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
20calc.
Lipinski rule of five
Fails (3 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=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCCO1)C2

O=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCCO1)C2

7 rings, 45 atoms.

46 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.

Avermectin A1a suppliers

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Where suppliers are based

1 supplier in 1 country

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Avermectin A1a price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Avermectin A1a is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Avermectin A1a is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Avermectin A1a, based on the data on this page

What is Avermectin A1a?

avermectin A1a has been reported in Streptomyces avermitilis.

What is the CAS number of Avermectin A1a?

The CAS registry number of Avermectin A1a is 65195-51-9.

What is the molecular formula and weight of Avermectin A1a?

The molecular formula of Avermectin A1a is C49H74O14 and its molar mass is 887.12 g/mol.

What is Avermectin A1a used for?

Known uses and roles of Avermectin A1a include building blocks in research and laboratory.

Is Avermectin A1a hazardous?

No GHS hazard classification for Avermectin A1a 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 Avermectin A1a?

Avermectin A1a is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avermectin A1a?

CompoundList lists 1 supplier of Avermectin A1a in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Avermectin A1a?

Suppliers quote Avermectin A1a 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 Avermectin A1a

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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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