BURKINABIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24O12
Molecular Weight	492.4295
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(=C1)C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2OC(=O)C3=CC(OC)=C(O)C=C3)C(O)=O

InChI

InChIKey=NNIPMYIDMKBMBF-ALIIGJLFSA-N

InChI=1S/C23H24O12/c1-32-16-7-11(3-5-13(16)24)20(27)34-18-10-23(31,22(29)30)9-15(26)19(18)35-21(28)12-4-6-14(25)17(8-12)33-2/h3-8,15,18-19,24-26,31H,9-10H2,1-2H3,(H,29,30)/t15-,18-,19-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H24O12
Molecular Weight	492.4295
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:56:54 GMT 2023` Edited by `admin` on `Sat Dec 16 16:56:54 GMT 2023`
Record UNII	HZ5FJG5GK4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BURKINABIN C

Common Name

English

BENZOIC ACID, 4-HYDROXY-3-METHOXY-, (1R,2R,3R,5S)-5-CARBOXY-3,5-DIHYDROXY-1,2-CYCLOHEXANEDIYL ESTER

Systematic Name

English

(1S,3R,4R,5R)-1,3-Dihydroxy-4,5-bis[(4-hydroxy-3-methoxybenzoyl)oxy]cyclohexane-1-carboxylic acid

Systematic Name

English

4,5-O-divanilloylquinic acid

Common Name

English

Code System Code Type Description

PUBCHEM

23250814