ANTIBIOTIC A-40926 B1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C83H88Cl2N8O29
Molecular Weight	1732.529
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(NC(=O)CCCCCCCCCCC)[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=IMGYVEMZPBHISV-PSDJNXLUSA-N

InChI=1S/C83H88Cl2N8O29/c1-3-4-5-6-7-8-9-10-11-12-56(99)88-65-68(102)70(104)73(81(114)115)122-82(65)121-72-53-27-38-28-54(72)118-50-22-17-37(25-45(50)84)66(100)64-79(111)92-63(80(112)113)43-29-39(95)30-52(119-83-71(105)69(103)67(101)55(33-94)120-83)57(43)42-24-35(15-20-47(42)96)60(76(108)93-64)89-77(109)61(38)90-78(110)62-44-31-41(32-49(98)58(44)85)117-51-26-36(16-21-48(51)97)59(86-2)75(107)87-46(74(106)91-62)23-34-13-18-40(116-53)19-14-34/h13-22,24-32,46,55,59-71,73,82-83,86,94-98,100-105H,3-12,23,33H2,1-2H3,(H,87,107)(H,88,99)(H,89,109)(H,90,110)(H,91,106)(H,92,111)(H,93,108)(H,112,113)(H,114,115)/t46-,55-,59-,60-,61-,62+,63+,64+,65-,66-,67-,68-,69+,70+,71+,73+,82-,83+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C83H88Cl2N8O29
Molecular Weight	1732.529
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 05:16:35 GMT 2023` Edited by `admin` on `Sat Dec 16 05:16:35 GMT 2023`
Record UNII	C70V7E56T3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANTIBIOTIC A-40926 B1

Common Name

English

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

Systematic Name

English

PARVODICIN C2

Common Name

English

Code System Code Type Description

PUBCHEM

76965486

Created by admin on Sat Dec 16 05:16:35 GMT 2023 , Edited by admin on Sat Dec 16 05:16:35 GMT 2023

PRIMARY

CAS

110882-85-4

Created by admin on Sat Dec 16 05:16:35 GMT 2023 , Edited by admin on Sat Dec 16 05:16:35 GMT 2023

PRIMARY

FDA UNII

C70V7E56T3

Created by admin on Sat Dec 16 05:16:35 GMT 2023 , Edited by admin on Sat Dec 16 05:16:35 GMT 2023

PRIMARY

Related Record Type Details


					C70V7E56T3

ANTIBIOTIC A-40926 B1

ACTIVE MOIETY