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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H72O15
Molecular Weight 877.0674
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

CC[C@]([H])(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)CO)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=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 877.0674
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 Jun 26 05:55:13 UTC 2021
Edited
by admin
on Sat Jun 26 05:55:13 UTC 2021
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 Jun 26 05:55:14 UTC 2021 , Edited by admin on Sat Jun 26 05:55:14 UTC 2021
PRIMARY PUBCHEM
CAS
207747-83-9
Created by admin on Sat Jun 26 05:55:14 UTC 2021 , Edited by admin on Sat Jun 26 05:55:14 UTC 2021
PRIMARY
FDA UNII
ZL5ZDZ5PMG
Created by admin on Sat Jun 26 05:55:14 UTC 2021 , Edited by admin on Sat Jun 26 05:55:14 UTC 2021
PRIMARY
Related Record Type Details
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