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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H70O14
Molecular Weight 847.0414
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3''-O-DESMETHYL-IVERMECTIN B1B

SMILES

CC(C)[C@]1([H])[C@@]([H])(C)CC[C@]2(C[C@]3([H])C[C@@]([H])(C/C(/[H])=C(\C)/[C@]([H])([C@@]([H])(C)/C(/[H])=C(\[H])/C(/[H])=C/4\CO[C@]5([H])[C@@]([H])(C(=C[C@@]([H])(C(=O)O3)[C@]45O)C)O)O[C@@]6([H])C[C@@]([H])([C@]([H])([C@]([H])(C)O6)O[C@@]7([H])C[C@@]([H])([C@]([H])([C@]([H])(C)O7)O)O)OC)O2)O1

InChI

InChIKey=FUXJVOKMEQOBGK-HPKHOCSBSA-N
InChI=1S/C46H70O14/c1-23(2)40-26(5)15-16-45(60-40)21-32-18-31(59-45)14-13-25(4)41(57-37-20-35(52-9)42(29(8)55-37)58-36-19-34(47)39(49)28(7)54-36)24(3)11-10-12-30-22-53-43-38(48)27(6)17-33(44(50)56-32)46(30,43)51/h10-13,17,23-24,26,28-29,31-43,47-49,51H,14-16,18-22H2,1-9H3/b11-10+,25-13+,30-12+/t24-,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-,40+,41-,42-,43+,45+,46+/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H70O14
Molecular Weight 847.0414
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:11:07 UTC 2021
Edited
by admin
on Sat Jun 26 13:11:07 UTC 2021
Record UNII
UH82EL4ASQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3''-O-DESMETHYL-IVERMECTIN B1B
Common Name English
3''-O-DESMETHYL-H2B1B
Common Name English
AVERMECTIN A1A, 3'',5-DI-O-DEMETHYL-25-DE(1-METHYLPROPYL)-22,23-DIHYDRO-25-(1-METHYLETHYL)-
Common Name English
Code System Code Type Description
CAS
92137-94-5
Created by admin on Sat Jun 26 13:11:07 UTC 2021 , Edited by admin on Sat Jun 26 13:11:07 UTC 2021
PRIMARY
FDA UNII
UH82EL4ASQ
Created by admin on Sat Jun 26 13:11:07 UTC 2021 , Edited by admin on Sat Jun 26 13:11:07 UTC 2021
PRIMARY
PUBCHEM
155491046
Created by admin on Sat Jun 26 13:11:07 UTC 2021 , Edited by admin on Sat Jun 26 13:11:07 UTC 2021
PRIMARY PUBCHEM
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