FILIXIC ACID BBB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H44O12
Molecular Weight	668.7274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)C1=C(O)C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)=C(O)C(CC3=C(O)C(C)(C)C(O)=C(C(=O)CCC)C3=O)=C1O

InChI

InChIKey=CBJLTLWLKQTVHD-UHFFFAOYSA-N

InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3

HIDE SMILES / InChI

Molecular Formula	C36H44O12
Molecular Weight	668.7274
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:13:32 UTC 2023` Edited by `admin` on `Fri Dec 15 21:13:32 UTC 2023`
Record UNII	3OQ8CMM2OZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FILIXIC ACID BBB

Common Name

English

BUTYROPHENONE, 3',5'-BIS((5-BUTYRYL-2,4-DIHYDROXY-3,3-DIMETHYL-6-OXO-1,4-CYCLOHEXADIEN-1-YL)METHYL)-2',4',6'-TRIHYDROXY-

Systematic Name

English

2,2'-((2,4,6-TRIHYDROXY-5-(1-OXOBUTYL)-1,3-PHENYLENE)BIS(METHYLENE))BIS(3,5-DIHYDROXY-4,4-DIMETHYL-6-(1-OXOBUTYL)-2,5-CYCLOHEXADIEN-1-ONE)

Systematic Name

English

FILIXIC ACIDS BBB [MI]

Common Name

English

PHLOROBUTYROPHENONE, 3',5'-BIS((5-BUTYRYL-2,4-DIHYDROXY-3,3-DIMETHYL-6-OXO-1,4-CYCLOHEXADIEN-1-YL)METHYL)-

Systematic Name

English

2,5-CYCLOHEXADIEN-1-ONE, 2,2'-((2,4,6-TRIHYDROXY-5-(1-OXOBUTYL)-1,3-PHENYLENE)BIS(METHYLENE))BIS(3,5-DIHYDROXY-4,4-DIMETHYL-6-(1-OXOBUTYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001101435