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Heterocyclic building blocks

Emamectin B1B

Also known as Emamectin component b1b, Avermectin a1a, 5-o-demethyl-25-de(1-methylpropyl)-4''-deoxy-4''-(methylamino)-25-(1-methylethyl)-, (4''r)-, 4''-Deoxy-4''-epi-methylaminoavermectin b1b

CAS 121424-52-0Formula C48H73NO13Molar mass 872.11 g/mol
1 supplier listed
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Emamectin B1B chemical structure, C48H73NO13, CAS 121424-52-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121424-52-0
Formula
C48H73NO13
Molar mass
872.11 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Emamectin B1B?

Plain description, key identifiers and synonyms

Emamectin B1B is a chemical substance with the molecular formula C48H73NO13 and a molar mass of 872.11 g/mol. Its CAS registry number is 121424-52-0. The IUPAC name is (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)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one.

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)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[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
121424-52-0 CAS number cross-checked
Molecular formula
C48H73NO13
UNII
P37ZE6MHXI
InChIKey
DXIOOXFZLKCVHK-VAUHGISYSA-N
InChI
InChI=1S/C48H73NO13/c1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,47+,48+/m0/s1
Canonical SMILES
CNC1C(C)OC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C(C)C)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)CC1OC
Isomeric SMILES
C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)NC)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O

Synonyms

  • Emamectin component b1b
  • Avermectin a1a, 5-o-demethyl-25-de(1-methylpropyl)-4''-deoxy-4''-(methylamino)-25-(1-methylethyl)-, (4''r)-
  • 4''-Deoxy-4''-epi-methylaminoavermectin b1b
  • 4''-Deoxy-4''-epi-(methylamino)avermectin b1b
  • 4''-Epi-(methylamino)-4''-deoxyavermectin b1b
  • (4''r)-5-o-Demethyl-25-de(1-methylpropyl)-4''-deoxy-4''-(methylamino)-25-(1-methylethyl)avermectin a1a

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
872.11 g/molcalc.
Exact mass
871.5082 Dacalc.
LogP (octanol/water)
5.21calc.
Topological polar surface area
161.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
62calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
19calc.
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.

Emamectin B1B suppliers

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Where suppliers are based

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Emamectin B1B 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 Emamectin B1B 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 Emamectin B1B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emamectin B1B, based on the data on this page

What is Emamectin B1B?

Emamectin B1B is a chemical substance with the molecular formula C48H73NO13 and a molar mass of 872.11 g/mol. Its CAS registry number is 121424-52-0.

What is the CAS number of Emamectin B1B?

The CAS registry number of Emamectin B1B is 121424-52-0.

What is the molecular formula and weight of Emamectin B1B?

The molecular formula of Emamectin B1B is C48H73NO13 and its molar mass is 872.11 g/mol.

What is Emamectin B1B used for?

Known uses and roles of Emamectin B1B include building blocks in research and laboratory.

Is Emamectin B1B hazardous?

No GHS hazard classification for Emamectin B1B 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 Emamectin B1B?

Emamectin B1B is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emamectin B1B?

CompoundList lists 1 supplier of Emamectin B1B 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 Emamectin B1B?

Suppliers quote Emamectin B1B 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 Emamectin B1B

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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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