EMAMECTIN B1B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H73NO13
Molecular Weight	872.0921
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN[C@@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C3/C)O[C@@]7(C6)O[C@H](C(C)C)[C@@H](C)C=C7)[C@]45O

InChI

InChIKey=DXIOOXFZLKCVHK-VAUHGISYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C48H73NO13
Molecular Weight	872.0921
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:34:06 GMT 2025` Edited by `admin` on `Mon Mar 31 18:34:06 GMT 2025`
Record UNII	P37ZE6MHXI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4''R)-5-O-DEMETHYL-25-DE(1-METHYLPROPYL)-4''-DEOXY-4''-(METHYLAMINO)-25-(1-METHYLETHYL)AVERMECTIN A1A

Preferred Name

English

EMAMECTIN B1B

Common Name

English

AVERMECTIN A1A, 5-O-DEMETHYL-25-DE(1-METHYLPROPYL)-4''-DEOXY-4''-(METHYLAMINO)-25-(1-METHYLETHYL)-, (4''R)-

Common Name

English

EMAMECTIN B1B [MI]

Common Name

English

4''-EPI-(METHYLAMINO)-4''-DEOXYAVERMECTIN B1B

Common Name

English

4''-DEOXY-4''-EPI-(METHYLAMINO)AVERMECTIN B1B

Common Name

English

4''-DEOXY-4''-EPI-METHYLAMINOAVERMECTIN B1B

Common Name

English

EMAMECTIN COMPONENT B1B

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80153265