RUBRADIRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H46N4O20
Molecular Weight	998.8936
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1[C@@H](C)O[C@@H](C[C@]1(C)[N+]([O-])=O)OC2=C(O)C(=NC(=C2)C(=O)NC3=C(O)C4=C(OC3=O)C=C(OC)C=C4)C(=O)O[C@@H]5[C@@H](C)C=C(C)C(=O)C6=C7C(=O)C8=C(NC[C@](C)(O8)C(=O)[C@H]5O)C(=O)C7=CC(C)=C6O

InChI

InChIKey=GBZJIWQNTNUYGZ-AWTICQJKSA-N

InChI=1S/C48H46N4O20/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)72-48)71-46(63)32-37(57)26(69-27-15-47(5,52(64)65)43(67-8)20(4)68-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(66-7)13-25(22)70-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11-/t19-,20+,27+,39-,40+,43-,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H46N4O20
Molecular Weight	998.8936
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:32:03 GMT 2025` Edited by `admin` on `Tue Apr 01 18:32:03 GMT 2025`
Record UNII	764K7B32NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBRADIRIN

Common Name

English

ANTIBIOTIC 42405

Preferred Name

English

RUBRADIRIN B, 4''-((2,3,6-TRIDEOXY-3-C-METHYL-4-O-METHYL-3-NITRO-.ALPHA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (7Z)-

Systematic Name

English

Code System Code Type Description

CAS

11031-38-2

Created by admin on Tue Apr 01 18:32:03 GMT 2025 , Edited by admin on Tue Apr 01 18:32:03 GMT 2025

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FDA UNII

764K7B32NB

Created by admin on Tue Apr 01 18:32:03 GMT 2025 , Edited by admin on Tue Apr 01 18:32:03 GMT 2025

PRIMARY

PUBCHEM

121491875

Created by admin on Tue Apr 01 18:32:03 GMT 2025 , Edited by admin on Tue Apr 01 18:32:03 GMT 2025

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