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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H86Cl2N8O29
Molecular Weight 1718.502
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIBIOTIC A-40926 A1

SMILES

[H][C@@]1(NC(=O)CCCCCCCCCC)[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C3OC4=CC=C(C[C@H]5NC(=O)[C@H](NC)C6=CC(OC7=CC([C@H](NC5=O)C(=O)N[C@@H]8C(C=C2OC9=C(Cl)C=C(C=C9)[C@@H](O)[C@@H]%10NC(=O)[C@H](NC8=O)C%11=CC(=C(O)C=C%11)C%12=C(C=C(O)C=C%12O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)[C@H](NC%10=O)C(O)=O)=C3)=C(Cl)C(O)=C7)=C(O)C=C6)C=C4)C(O)=O

InChI

InChIKey=KFFFTRROFFANLL-PKPPEPSOSA-N
InChI=1S/C82H86Cl2N8O29/c1-3-4-5-6-7-8-9-10-11-55(98)87-64-67(101)69(103)72(80(113)114)121-81(64)120-71-52-26-37-27-53(71)117-49-21-16-36(24-44(49)83)65(99)63-78(110)91-62(79(111)112)42-28-38(94)29-51(118-82-70(104)68(102)66(100)54(32-93)119-82)56(42)41-23-34(14-19-46(41)95)59(75(107)92-63)88-76(108)60(37)89-77(109)61-43-30-40(31-48(97)57(43)84)116-50-25-35(15-20-47(50)96)58(85-2)74(106)86-45(73(105)90-61)22-33-12-17-39(115-52)18-13-33/h12-21,23-31,45,54,58-70,72,81-82,85,93-97,99-104H,3-11,22,32H2,1-2H3,(H,86,106)(H,87,98)(H,88,108)(H,89,109)(H,90,105)(H,91,110)(H,92,107)(H,111,112)(H,113,114)/t45-,54-,58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68+,69+,70+,72+,81-,82+/m1/s1

HIDE SMILES / InChI

Molecular Formula C82H86Cl2N8O29
Molecular Weight 1718.502
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:37:46 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:46 GMT 2023
Record UNII
4E60GZ933I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIBIOTIC A-40926 A1
Common Name English
PARVODICIN B2
Common Name English
RISTOMYCIN A AGLYCONE, 5,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((1-OXOUNDECYL)AMINO)-.BETA.-D-GLUCOPYRANURONOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-
Systematic Name English
Code System Code Type Description
CAS
110882-83-2
Created by admin on Sat Dec 16 08:37:47 GMT 2023 , Edited by admin on Sat Dec 16 08:37:47 GMT 2023
PRIMARY
PUBCHEM
17748712
Created by admin on Sat Dec 16 08:37:47 GMT 2023 , Edited by admin on Sat Dec 16 08:37:47 GMT 2023
PRIMARY
FDA UNII
4E60GZ933I
Created by admin on Sat Dec 16 08:37:47 GMT 2023 , Edited by admin on Sat Dec 16 08:37:47 GMT 2023
PRIMARY