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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H46O7
Molecular Weight 542.7034
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILBEMYCIN A4

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](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=VOZIAWLUULBIPN-LRBNAKOISA-N
InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H46O7
Molecular Weight 542.7034
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 Sat Dec 16 01:15:07 UTC 2023
Edited
by admin
on Sat Dec 16 01:15:07 UTC 2023
Record UNII
9BSH89E55Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILBEMYCIN A4
MI  
Common Name English
ANTIBIOTIC B 41A4
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-25-ETHYL-, (6R,25R)-
Common Name English
MILBEMYCIN OXIME IMPURITY A [EP IMPURITY]
Common Name English
EMAMECTIN A4
Common Name English
MILBEMYCIN A4 [MI]
Common Name English
MILBEMYCIN .ALPHA.3
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 90103
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID4052760
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY
MESH
C027837
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY
MERCK INDEX
m7539
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY Merck Index
FDA UNII
9BSH89E55Y
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY
PUBCHEM
9959038
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY
CAS
51596-11-3
Created by admin on Sat Dec 16 01:15:07 UTC 2023 , Edited by admin on Sat Dec 16 01:15:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP