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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43NO7
Molecular Weight 541.6756
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MILBEMYCIN A3 5-OXIME

SMILES

C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5C(=NO)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]1C

InChI

InChIKey=VDBGCWFGLMXRIK-RUTOLCLOSA-N
InChI=1S/C31H43NO7/c1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+,32-27-/t18-,20-,22+,24+,25-,26-,28+,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H43NO7
Molecular Weight 541.6756
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:19:56 GMT 2025
Edited
by admin
on Mon Mar 31 18:19:56 GMT 2025
Record UNII
053YPP1I9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILBEMYCIN A3 5-OXIME
Common Name English
(6R,25R)-5-DEMETHOXY-28-DEOXY-6,28-EPOXY-5-(HYDROXYIMINO)-25-METHYLMILBEMYCIN B
Preferred Name English
MILBEMYCIN B, 5-DEMETHOXY-28-DEOXY-6,28-EPOXY-5-(HYDROXYIMINO)-25-METHYL-, (6R,25R)-
Systematic Name English
Code System Code Type Description
FDA UNII
053YPP1I9C
Created by admin on Mon Mar 31 18:19:56 GMT 2025 , Edited by admin on Mon Mar 31 18:19:56 GMT 2025
PRIMARY
CAS
114177-14-9
Created by admin on Mon Mar 31 18:19:56 GMT 2025 , Edited by admin on Mon Mar 31 18:19:56 GMT 2025
PRIMARY
NCI_THESAURUS
C87654
Created by admin on Mon Mar 31 18:19:56 GMT 2025 , Edited by admin on Mon Mar 31 18:19:56 GMT 2025
PRIMARY
PUBCHEM
91617476
Created by admin on Mon Mar 31 18:19:56 GMT 2025 , Edited by admin on Mon Mar 31 18:19:56 GMT 2025
PRIMARY