EMAMECTIN B1A BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H75NO13.C7H6O2
Molecular Weight	1008.24
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.[H][C@@]23OC\C4=C/C=C/[C@H](C)[C@H](O[C@@]5([H])C[C@H](OC)[C@@]([H])(O[C@@]6([H])C[C@H](OC)[C@H](NC)[C@H](C)O6)[C@H](C)O5)\C(C)=C\C[C@]7([H])C[C@@]([H])(C[C@]8(O7)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C8)OC(=O)[C@]([H])(C=C(C)[C@H]2O)[C@@]34O

InChI

InChIKey=GCKZANITAMOIAR-PEZUHFCHSA-N

InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/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

HIDE SMILES / InChI

Molecular Formula	C49H75NO13
Molecular Weight	886.1187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:57 UTC 2023` Edited by `admin` on `Fri Dec 15 17:10:57 UTC 2023`
Record UNII	540MVT736Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EMAMECTIN B1A BENZOATE

Common Name

English

4''-DEOXY-4''-EPI-METHYLAMINOAVERMECTIN B1A BENZOATE SALT

Common Name

English

4''-DEOXY-4''-EPIMETHYLAMINOAVERMECTIN B1A BENZOATE

Common Name

English

AVERMECTIN A1A, 5-O-DEMETHYL-4''-DEOXY-4''-(METHYLAMINO)-, (4''R)-, BENZOATE (SALT)

Common Name

English

EMAMECTIN COMPONENT B1A BENZOATE

Common Name

English

AVERMECTIN A1A, 5-O-DEMETHYL-4''-DEOXY-4''-(METHYLAMINO)-, (4''R)-, BENZOATE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

540MVT736Z