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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H70O14
Molecular Weight 847.0396
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

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

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]6([H])C[C@@H](C[C@]7(CC[C@H](C)[C@H](O7)C(C)C)O6)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

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 847.0396
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 Thu Jul 06 22:53:05 UTC 2023
Edited
by admin
on Thu Jul 06 22:53:05 UTC 2023
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 Thu Jul 06 22:53:05 UTC 2023 , Edited by admin on Thu Jul 06 22:53:05 UTC 2023
PRIMARY
FDA UNII
UH82EL4ASQ
Created by admin on Thu Jul 06 22:53:05 UTC 2023 , Edited by admin on Thu Jul 06 22:53:05 UTC 2023
PRIMARY
PUBCHEM
155491046
Created by admin on Thu Jul 06 22:53:05 UTC 2023 , Edited by admin on Thu Jul 06 22:53:05 UTC 2023
PRIMARY PUBCHEM
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