FREDERICAMYCIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H23NO9
Molecular Weight	553.5156
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1O)C(O)=C4CCC5=CC6=C(C(=O)NC(\C=C\C=C\C)=C6)C(O)=C5C4=C3O

InChI

InChIKey=YNIOLMWTOALCPA-VNKDHWASSA-N

InChI=1S/C31H23NO9/c1-3-4-5-6-14-10-13-9-12-7-8-15-20(18(12)27(36)19(13)31(40)32-14)28(37)24-23(25(15)34)30(39)22-21(29(24)38)16(33)11-17(41-2)26(22)35/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,40)/b4-3+,6-5+

HIDE SMILES / InChI

Molecular Formula	C31H23NO9
Molecular Weight	553.5156
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:30:40 UTC 2023` Edited by `admin` on `Sat Dec 16 09:30:40 UTC 2023`
Record UNII	6R0OG52S88
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FREDERICAMYCIN B

Common Name

English

NAPHTHACENO(2,1-G)ISOQUINOLINE-1,9,14(2H)-TRIONE, 6,7-DIHYDRO-8,10,13,15,16-PENTAHYDROXY-11-METHOXY-3-(1E,3E)-1,3-PENTADIEN-1-YL-

Systematic Name

English

Code System Code Type Description

FDA UNII

6R0OG52S88

Created by admin on Sat Dec 16 09:30:40 UTC 2023 , Edited by admin on Sat Dec 16 09:30:40 UTC 2023

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PUBCHEM

11168876

Created by admin on Sat Dec 16 09:30:40 UTC 2023 , Edited by admin on Sat Dec 16 09:30:40 UTC 2023

PRIMARY

CAS

80450-64-2

Created by admin on Sat Dec 16 09:30:40 UTC 2023 , Edited by admin on Sat Dec 16 09:30:40 UTC 2023

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