EMAMECTIN B1A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H75NO13
Molecular Weight	886.1187
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@]([H])(O[C@@]5([H])C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]6([H])C[C@@]([H])(C[C@]7(O6)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C7)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=CXEGAUYXQAKHKJ-COFQVFHOSA-N

InChI=1S/C49H75NO13/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/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:12:36 UTC 2023` Edited by `admin` on `Fri Dec 15 17:12:36 UTC 2023`
Record UNII	IX4GP7848F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMAMECTIN B1A

Common Name

English

L-656748

Code

English

EMAMECTIN B1A [MI]

Common Name

English

4''-DEOXY-4''-EPI-(METHYLAMINO)AVERMECTIN B1A

Common Name

English

L 656748

Code

English

4''-EPI-(METHYLAMINO)-4''-DEOXYAVERMECTIN B1A

Common Name

English

EMAMECTIN COMPONENT B1A

Common Name

English

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

Common Name

English

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

Common Name

English

Code System Code Type Description

SMS_ID

300000024099