BENANOMICIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H42N2O18
Molecular Weight	826.7534
Optical Activity	( + )
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C(O)=C1)C(=O)C3=CC4=C(C(O)=C3C2=O)C5=C(C=C(C)C(C(=O)N[C@H](C)C(O)=O)=C5O)[C@H](O[C@@H]6O[C@H](C)[C@H](N)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H]4O

InChI

InChIKey=IHIIRQILYAXIOH-NUVDETJMSA-N

InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H42N2O18
Molecular Weight	826.7534
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:05:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:56 GMT 2025`
Record UNII	2AEY6X9QC2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENANOMICIN B

Common Name

English

ANTIBIOTIC BU-3608C

Preferred Name

English

D-ALANINE, N-(((5S,6S)-5-((4-AMINO-4,6-DIDEOXY-3-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-5,6,8,13-TETRAHYDRO-1,6,9,14-TETRAHYDROXY-11-METHOXY-3-METHYL-8,13-DIOXOBENZO(A)NAPHTHACEN-2-YL)CARBONYL)-

Systematic Name

English

BU-3608C

Common Name

English

N-(((5S,6S)-5-((4-AMINO-4,6-DIDEOXY-3-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-5,6,8,13-TETRAHYDRO-1,6,9,14-TETRAHYDROXY-11-METHOXY-3-METHYL-8,13-DIOXOBENZO(A)NAPHTHACEN-2-YL)CARBONYL)-D-ALANINE

Systematic Name

English

PRADIMICIN C

Common Name

English

Code System Code Type Description

CAS

116249-66-2