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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H63ClO16
Molecular Weight 955.479
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROTHRICIN

SMILES

[H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@H](OC(=O)C3=C(OC)C=CC(Cl)=C3C)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]4CCC[C@]5([H])[C@]4([H])C=C[C@@]6([H])CCCC\C=C\[C@]7([H])C=C([C@H](C)C[C@]78OC(=O)C(OC(=O)[C@@]56C)=C8O)C(O)=O

InChI

InChIKey=WUXHQHDSSKBJFH-DELKKKATSA-N
InChI=1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-54H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/b13-10+/t24-,26-,27-,28-,29-,30+,32-,34-,35+,37-,38+,39+,41-,42-,49-,50+/m1/s1

HIDE SMILES / InChI

Molecular Formula C50H63ClO16
Molecular Weight 955.479
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Screening for new compounds with antiherpes activity.
1984 Oct
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:49:34 GMT 2023
Edited
by admin
on Sat Dec 16 08:49:34 GMT 2023
Record UNII
I4O4K2RAQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROTHRICIN
MI  
Common Name English
CHLOROTHRICIN [MI]
Common Name English
Code System Code Type Description
CAS
34707-92-1
Created by admin on Sat Dec 16 08:49:34 GMT 2023 , Edited by admin on Sat Dec 16 08:49:34 GMT 2023
PRIMARY
FDA UNII
I4O4K2RAQR
Created by admin on Sat Dec 16 08:49:34 GMT 2023 , Edited by admin on Sat Dec 16 08:49:34 GMT 2023
PRIMARY
PUBCHEM
54688680
Created by admin on Sat Dec 16 08:49:34 GMT 2023 , Edited by admin on Sat Dec 16 08:49:34 GMT 2023
PRIMARY
MERCK INDEX
m3442
Created by admin on Sat Dec 16 08:49:34 GMT 2023 , Edited by admin on Sat Dec 16 08:49:34 GMT 2023
PRIMARY Merck Index