Abamectin A1a

CAT: 1596-AR-A05168-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05168-01Size:10 Units

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CAS Number

65195-51-9

Synonyms

Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran] Avermectin A1a derivative, A1a

Molecular Formula

C49H74O14

Molecular Weight

887.12

API Name

Abamectin

Chemical Information

Avermectin A1a

avermectin A1a has been reported in Streptomyces avermitilis with data available.

CAS Number	65195-51-9
PubChem CID	9832706
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
Molecular Formula	C49H74O14
Molecular Weight	887.1
XLogP	4.4
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Heavy Atom Count	63
Formal Charge	0
Complexity	1740

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

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

InChIKey

AFSHKCWTGFDXJR-SQOHEDJBSA-N

Chemical Structure

2D Structure

CAS: 65195-51-9

CID: 9832706

Formula: C49H74O14

MW: 887.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	887.1
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Exact Mass	886.50785703
Monoisotopic Mass	886.50785703
Topological Polar Surface Area	159 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1740
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-A01052-01	Abamectin (>90% Purity)
AR-A01021-01	Ivermectin EP Impurity B (Abamectin B1b)

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A145-5G	Abamectin
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440678-01	Abamectin B1b
TRC-A107010-5MG	Abamectin B1b (~90%)
AE81061SF-01	Abamectin ELISA Kit
HY-138149	2-epi-Abamectin

Abamectin A1a

Chemical Information

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