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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H50O8
Molecular Weight 586.756
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6R,13S,25R)-5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-HYDROXY-25-((1S)-1-METHYLPROPYL)MILBEMYCIN B

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O)\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=XOCXXEYUGYTCNG-AOIHNFKZSA-N
InChI=1S/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H50O8
Molecular Weight 586.756
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 18:56:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:49 GMT 2023
Record UNII
GF54JTQ44E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,13S,25R)-5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-HYDROXY-25-((1S)-1-METHYLPROPYL)MILBEMYCIN B
Systematic Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-HYDROXY-25-((1S)-1-METHYLPROPYL)-, (6R,13S,25R)-
Systematic Name English
22,23-DIHYDROAVERMECTIN B1A AGLYCON
Common Name English
IVERMECTIN IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
GF54JTQ44E
Created by admin on Sat Dec 16 18:56:49 GMT 2023 , Edited by admin on Sat Dec 16 18:56:49 GMT 2023
PRIMARY
PUBCHEM
13710870
Created by admin on Sat Dec 16 18:56:49 GMT 2023 , Edited by admin on Sat Dec 16 18:56:49 GMT 2023
PRIMARY
CAS
73162-95-5
Created by admin on Sat Dec 16 18:56:49 GMT 2023 , Edited by admin on Sat Dec 16 18:56:49 GMT 2023
PRIMARY
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