MDL-63246

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C88H102Cl2N10O27
Molecular Weight	1802.708
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(NC(=O)CCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@@H](CO)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)NCCCN(C)C)=C3)=C(Cl)C(O)=C7)=C(O)C=C6)C=C4

InChI

InChIKey=YBHCRKSNNGPNKG-QEQRGNDBSA-N

InChI=1S/C88H102Cl2N10O27/c1-39(2)13-10-8-6-7-9-11-14-63(107)94-72-76(111)74(109)61(37-101)125-87(72)127-79-59-31-44-32-60(79)123-56-24-19-43(29-51(56)89)73(108)71-86(120)98-69(81(115)92-25-12-26-100(4)5)49-33-45(103)34-58(124-88-78(113)77(112)75(110)62(38-102)126-88)64(49)48-28-41(17-22-53(48)104)67(83(117)99-71)95-84(118)68(44)96-85(119)70-50-35-47(36-55(106)65(50)90)122-57-30-42(18-23-54(57)105)66(91-3)82(116)93-52(80(114)97-70)27-40-15-20-46(121-59)21-16-40/h15-24,28-36,39,52,61-62,66-78,87-88,91,101-106,108-113H,6-14,25-27,37-38H2,1-5H3,(H,92,115)(H,93,116)(H,94,107)(H,95,118)(H,96,119)(H,97,114)(H,98,120)(H,99,117)/t52-,61-,62-,66-,67-,68-,69+,70+,71+,72-,73-,74-,75-,76-,77+,78+,87+,88+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C88H102Cl2N10O27
Molecular Weight	1802.708
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:20 GMT 2023` Edited by `admin` on `Fri Dec 15 16:32:20 GMT 2023`
Record UNII	H3YYY0ENVA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDL-63246

Common Name

English

RISTOMYCIN A AGLYCONE, 5,31-DICHLORO-38-DE(METHOXYCARBONYL)-7-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((10-METHYL-1-OXOUNDECYL)AMINO)-.BETA.-D-GLUCOPYRANOSYL)-38-(((3-(DIMETHYLAMINO)PROPYL)AMINO)CARBONYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

H3YYY0ENVA

Created by admin on Fri Dec 15 16:32:20 GMT 2023 , Edited by admin on Fri Dec 15 16:32:20 GMT 2023

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CAS

148868-06-8

Created by admin on Fri Dec 15 16:32:20 GMT 2023 , Edited by admin on Fri Dec 15 16:32:20 GMT 2023

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PUBCHEM

17748716

Created by admin on Fri Dec 15 16:32:20 GMT 2023 , Edited by admin on Fri Dec 15 16:32:20 GMT 2023

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