23-KETO NEMADECTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H50O8
Molecular Weight	610.7774
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)\C=C(/C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(=O)[C@@H]1C

InChI

InChIKey=VPWHZFYSDDOYRR-BVWZAJDSSA-N

InChI=1S/C36H50O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-29,31-33,38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,31+,32+,33+,35-,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H50O8
Molecular Weight	610.7774
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:58:07 GMT 2025` Edited by `admin` on `Wed Apr 02 00:58:07 GMT 2025`
Record UNII	U8UGZ945KD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

23-KETO NEMADECTIN

Common Name

English

(6R,25S)-5-O-DEMETHYL-28-DEOXY-25-((1E)-1,3-DIMETHYL-1-BUTEN-1-YL)-6,28-EPOXY-23-OXOMILBEMYCIN B

Preferred Name

English

MOXIDECTIN METABOLITE V (OXIDATION METABOLITE)

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-25-((1E)-1,3-DIMETHYL-1-BUTEN-1-YL)-6,28-EPOXY-23-OXO-, (6R,25S)-

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-25-(1,3-DIMETHYL-1-BUTENYL)-6,28-EPOXY-23-OXO-, (6R,25S(E))-

Common Name

English

23-DESMETHOXYAMINO-23-OXO MOXIDECTIN

Common Name

English

Code System Code Type Description

FDA UNII

U8UGZ945KD

Created by admin on Wed Apr 02 00:58:07 GMT 2025 , Edited by admin on Wed Apr 02 00:58:07 GMT 2025

PRIMARY

PUBCHEM

14012057

Created by admin on Wed Apr 02 00:58:07 GMT 2025 , Edited by admin on Wed Apr 02 00:58:07 GMT 2025

PRIMARY

CAS

112124-81-9

Created by admin on Wed Apr 02 00:58:07 GMT 2025 , Edited by admin on Wed Apr 02 00:58:07 GMT 2025

PRIMARY

Related Record Type Details


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MOXIDECTIN

PARENT -> METABOLITE