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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H72O15
Molecular Weight 877.0656
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3''-DESMETHYL-26-HYDROXY-IVERMECTIN B1A

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@@H](C)CC)O6)OC(=O)[C@]([H])(C=C(CO)[C@H]1O)[C@@]23O

InChI

InChIKey=PHIACCSQYXDBCH-BFALWWSBSA-N
InChI=1S/C47H72O15/c1-9-24(2)42-27(5)15-16-46(62-42)21-33-18-32(61-46)14-13-26(4)41(59-38-20-36(54-8)43(29(7)57-38)60-37-19-35(49)39(50)28(6)56-37)25(3)11-10-12-31-23-55-44-40(51)30(22-48)17-34(45(52)58-33)47(31,44)53/h10-13,17,24-25,27-29,32-44,48-51,53H,9,14-16,18-23H2,1-8H3/b11-10+,26-13+,31-12+/t24-,25-,27-,28-,29-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42+,43-,44+,46+,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula C47H72O15
Molecular Weight 877.0656
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:37 GMT 2023
Edited
by admin
on Sat Dec 16 17:30:37 GMT 2023
Record UNII
ZL5ZDZ5PMG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVERMECTIN A1A, 3'',5-DI-O-DEMETHYL-22,23-DIHYDRO-26-HYDROXY-
Preferred Name English
3''-DESMETHYL-26-HYDROXY-IVERMECTIN B1A
Common Name English
Code System Code Type Description
PUBCHEM
155491213
Created by admin on Sat Dec 16 17:30:38 GMT 2023 , Edited by admin on Sat Dec 16 17:30:38 GMT 2023
PRIMARY PUBCHEM
CAS
207747-83-9
Created by admin on Sat Dec 16 17:30:38 GMT 2023 , Edited by admin on Sat Dec 16 17:30:38 GMT 2023
PRIMARY
FDA UNII
ZL5ZDZ5PMG
Created by admin on Sat Dec 16 17:30:38 GMT 2023 , Edited by admin on Sat Dec 16 17:30:38 GMT 2023
PRIMARY
Related Record Type Details
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