ASCOFURANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29ClO5
Molecular Weight	420.926
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C(CC\C=C(/C)[C@@H]1CC(=O)C(C)(C)O1)=C/CC2=C(O)C(Cl)=C(C)C(C=O)=C2O

InChI

InChIKey=VGYPZLGWVQQOST-JUERRSSISA-N

InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29ClO5
Molecular Weight	420.926
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:51:07 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:07 GMT 2025`
Record UNII	I31EFB9515
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASCOFURANONE

Common Name

English

3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-((2E,6E)-3-METHYL-7-((2S)-TETRAHYDRO-5,5-DIMETHYL-4-OXO-2-FURANYL)-2,6-OCTADIEN-1-YL)BENZALDEHYDE

Preferred Name

English

BENZALDEHYDE, 3-CHLORO-4,6-DIHYDROXY-2-METHYL-5-((2E,6E)-3-METHYL-7-((2S)-TETRAHYDRO-5,5-DIMETHYL-4-OXO-2-FURANYL)-2,6-OCTADIEN-1-YL)-

Systematic Name

English

Code System Code Type Description

CHEBI

146160