O-METHYLAVERSIN, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H18O7
Molecular Weight	382.3634
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12OCC[C@@]1([H])C3=C(O2)C=C4C(=O)C5=C(C(=O)C4=C3OC)C(OC)=CC(OC)=C5

InChI

InChIKey=YBFHKHFXLDEWSA-CHNSCGDPSA-N

InChI=1S/C21H18O7/c1-24-9-6-11-15(13(7-9)25-2)19(23)17-12(18(11)22)8-14-16(20(17)26-3)10-4-5-27-21(10)28-14/h6-8,10,21H,4-5H2,1-3H3/t10-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O7
Molecular Weight	382.3634
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:39:12 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:12 GMT 2023`
Record UNII	ICQ7SF2JAT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-METHYLAVERSIN, (±)-

Common Name

English

TRI-O-METHYLVERSICOLORIN B, (±)-

Common Name

English

ANTHRA(2,3-B)FURO(3,2-D)FURAN-5,10-DIONE, 2,3,3A,12A-TETRAHYDRO-4,6,8-TRIMETHOXY-, CIS-

Common Name

English

O-METHYLAVERSIN, (+-)-

Common Name

English

ANTHRA(2,3-B)FURO(3,2-D)FURAN-5,10-DIONE, 2,3,3A,12A-TETRAHYDRO-4,6,8-TRIMETHOXY-, CIS-(±)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

101699606

Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023

PRIMARY

FDA UNII

ICQ7SF2JAT

Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023

PRIMARY

CAS

16049-53-9

Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023

PRIMARY

Related Record Type Details


					ICQ7SF2JAT

O-METHYLAVERSIN, (±)-

ACTIVE MOIETY

Comments:

The mould, Aspergillus versicolor (Vuillemln) Tiraboschi, produces a number of anthraquinonoid pigments. including aversin and the versicolorins A, B, and C. We now describe a synthesis of a (+/-)-compound of structure (I, R = Me) and the establishment of its analytical, spectroscopic, and chromatographic identity with (-)-O-methylaverson (the methyl ether of natural aversin).