DUOCARMYCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25N3O8
Molecular Weight	507.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]1(C)NC2=C(C1=O)[C@@]34C[C@@H]3CN(C(=O)C5=CC6=C(N5)C(OC)=C(OC)C(OC)=C6)C4=CC2=O

InChI

InChIKey=AZVARJHZBXHUSO-DZQVEHCYSA-N

InChI=1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H25N3O8
Molecular Weight	507.492
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:58 GMT 2025`
Record UNII	PJV9990868
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DC-88A

Preferred Name

English

DUOCARMYCIN A

Common Name

English

CYCLOPROPA(C)PYRROLO(3,2-E)INDOLE-6-CARBOXYLIC ACID, 1,2,4,5,6,7,8,8A-OCTAHYDRO-6-METHYL-4,7-DIOXO-2-((5,6,7-TRIMETHOXY-1H-INDOL-2-YL)CARBONYL)-, METHYL ESTER, (6R-(6.ALPHA.,7BR*,8A.ALPHA.))-

Systematic Name

English

CYCLOPROPA(C)PYRROLO(3,2-E)INDOLE-6-CARBOXYLIC ACID, 1,2,4,5,6,7,8,8A-OCTAHYDRO-6-METHYL-4,7-DIOXO-2-((5,6,7-TRIMETHOXY-1H-INDOL-2-YL)CARBONYL)-, METHYL ESTER, (6R,7BR,8AS)-

Systematic Name

English

(+)-DUOCARMYCIN A

Common Name

English

Code System Code Type Description

PUBCHEM

11762918

Created by admin on Mon Mar 31 22:52:58 GMT 2025 , Edited by admin on Mon Mar 31 22:52:58 GMT 2025

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CAS

118292-34-5

Created by admin on Mon Mar 31 22:52:58 GMT 2025 , Edited by admin on Mon Mar 31 22:52:58 GMT 2025

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EPA CompTox

DTXSID40922656

Created by admin on Mon Mar 31 22:52:58 GMT 2025 , Edited by admin on Mon Mar 31 22:52:58 GMT 2025

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FDA UNII

PJV9990868

Created by admin on Mon Mar 31 22:52:58 GMT 2025 , Edited by admin on Mon Mar 31 22:52:58 GMT 2025

PRIMARY