MONASCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O5
Molecular Weight	358.4281
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O

InChI

InChIKey=XXKNHBAFFJINCK-RVEJDSBJSA-N

InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O5
Molecular Weight	358.4281
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:09:54 GMT 2025` Edited by `admin` on `Mon Mar 31 23:09:54 GMT 2025`
Record UNII	W74D2M37FX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONASCIN

Common Name

English

MONASCOFLAVIN

Preferred Name

English

(3S,3AR,9AR)-3A,4,8,9A-TETRAHYDRO-9A-METHYL-3-(1-OXOHEXYL)-6-(1E)-1-PROPEN-1-YL-2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(3H)-DIONE

Systematic Name

English

2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(3H)-DIONE, 3A,4,8,9A-TETRAHYDRO-9A-METHYL-3-(1-OXOHEXYL)-6-(1E)-1-PROPEN-1-YL-, (3S,3AR,9AR)-

Systematic Name

English

MONASCIN [MI]

Common Name

English

MONASCOFLAVINE

Common Name

English

Code System Code Type Description

MERCK INDEX

m11699