U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H44O7
Molecular Weight 528.6769
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILBEMYCIN A3

SMILES

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

InChI

InChIKey=ZLBGSRMUSVULIE-GSMJGMFJSA-N
InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H44O7
Molecular Weight 528.6769
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:50:30 UTC 2023
Edited
by admin
on Fri Dec 15 17:50:30 UTC 2023
Record UNII
C76Y8Z9GEX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILBEMYCIN A3
MI  
Common Name English
MILBEMYCIN OXIME IMPURITY B [EP IMPURITY]
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-METHYL-, (6R,25R)-
Common Name English
MILBEMECTIN [HSDB]
Common Name English
EMAMECTIN A3
Common Name English
MILBEMYCIN A3 [MI]
Common Name English
MILBEMYCIN .ALPHA.1
Common Name English
MILBEMECTIN [ISO]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 90104
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
Code System Code Type Description
CAS
51596-10-2
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
HSDB
51596-10-2
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
MERCK INDEX
m7539
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY Merck Index
MESH
C027837
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
FDA UNII
C76Y8Z9GEX
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID1058391
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
PUBCHEM
9828343
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
CHEBI
39228
Created by admin on Fri Dec 15 17:50:30 UTC 2023 , Edited by admin on Fri Dec 15 17:50:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP