ANTIBIOTIC A-40926 A0

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 Search

SMILES

CN[C@@H]1C2=CC(OC3=CC(O)=C(Cl)C(=C3)[C@@H]4NC(=O)[C@@H](CC5=CC=C(OC6=C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)CCCCCCCC(C)C)C(O)=O)C8=CC(=C6)[C@@H](NC4=O)C(=O)N[C@@H]9C%10=CC=C(O)C(=C%10)C%11=C(O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)C=C(O)C=C%11[C@H](NC(=O)[C@@H](NC9=O)[C@H](O)C%13=CC=C(O8)C(Cl)=C%13)C(O)=O)C=C5)NC1=O)=C(O)C=C2

InChI

InChIKey=UTUMMENGNWNHJZ-PKPPEPSOSA-N

InChI=1S/C82H86Cl2N8O29/c1-32(2)9-7-5-4-6-8-10-55(98)87-64-67(101)69(103)72(80(113)114)121-81(64)120-71-52-25-37-26-53(71)117-49-20-15-36(23-44(49)83)65(99)63-78(110)91-62(79(111)112)42-27-38(94)28-51(118-82-70(104)68(102)66(100)54(31-93)119-82)56(42)41-22-34(13-18-46(41)95)59(75(107)92-63)88-76(108)60(37)89-77(109)61-43-29-40(30-48(97)57(43)84)116-50-24-35(14-19-47(50)96)58(85-3)74(106)86-45(73(105)90-61)21-33-11-16-39(115-52)17-12-33/h11-20,22-30,32,45,54,58-70,72,81-82,85,93-97,99-104H,4-10,21,31H2,1-3H3,(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 `Mon Mar 31 22:03:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:21 GMT 2025`
Record UNII	T8KEU6LJBE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANTIBIOTIC A-40926 A0

Common Name

English

PARVODICIN B1

Preferred Name

English

RISTOMYCIN A AGLYCONE, 5,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((9-METHYL-1-OXODECYL)AMINO)-.BETA.-D-GLUCOPYRANURONOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76970228

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

PRIMARY

CAS

110882-82-1

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

PRIMARY

FDA UNII

T8KEU6LJBE

Created by admin on Mon Mar 31 22:03:21 GMT 2025 , Edited by admin on Mon Mar 31 22:03:21 GMT 2025

PRIMARY