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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H58O10
Molecular Weight 674.8611
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMADECTIN (MAJOR COMPONENT)

SMILES

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

InChI

InChIKey=ONEZYJLYSINXBJ-CKPQZXTHSA-N
InChI=1S/C38H58O10/c1-8-23(2)34-26(5)14-15-37(48-34)20-30-19-29(47-37)13-12-25(4)33(45-22-43-17-16-42-7)24(3)10-9-11-28-21-44-35-32(39)27(6)18-31(36(40)46-30)38(28,35)41/h9-12,18,23-24,26,29-35,39,41H,8,13-17,19-22H2,1-7H3/b10-9+,25-12+,28-11+/t23-,24-,26-,29+,30-,31-,32+,33-,34+,35+,37+,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H58O10
Molecular Weight 674.8611
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:15:11 GMT 2023
Edited
by admin
on Sat Dec 16 07:15:11 GMT 2023
Record UNII
64C05B3JG4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMADECTIN (MAJOR COMPONENT)
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-((2-METHOXYETHOXY)METHOXY)-25-((1S)-1-METHYLPROPYL)-, (6R,13S,25R)-
Common Name English
13-O-((2-METHOXYETHOXY)METHYL)IVERMECTIN B1A AGLYCONE
Common Name English
Code System Code Type Description
CAS
103968-19-0
Created by admin on Sat Dec 16 07:15:11 GMT 2023 , Edited by admin on Sat Dec 16 07:15:11 GMT 2023
PRIMARY
PUBCHEM
15343462
Created by admin on Sat Dec 16 07:15:11 GMT 2023 , Edited by admin on Sat Dec 16 07:15:11 GMT 2023
PRIMARY
FDA UNII
64C05B3JG4
Created by admin on Sat Dec 16 07:15:11 GMT 2023 , Edited by admin on Sat Dec 16 07:15:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID90146168
Created by admin on Sat Dec 16 07:15:11 GMT 2023 , Edited by admin on Sat Dec 16 07:15:11 GMT 2023
PRIMARY