NP-003686

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H28O22
Molecular Weight	788.5729
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H]1OC(=O)C5=CC(O)=C(O)C(O)=C5

InChI

InChIKey=RATQVALKDAUZBW-XPMKZLBQSA-N

InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H28O22
Molecular Weight	788.5729
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:57:45 UTC 2023` Edited by `admin` on `Sat Dec 16 09:57:45 UTC 2023`
Record UNII	4648S0G699
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NP-003686

Common Name

English

.BETA.-D-GLUCOPYRANOSE 1,2,3,6-TETRAGALLATE

Systematic Name

English

.BETA.-D-GLUCOPYRANOSE, 1,2,3,6-TETRAKIS(3,4,5-TRIHYDROXYBENZOATE)

Systematic Name

English

1,2,3,6-TETRA-O-GALLOYL-.BETA.-D-GLUCOSE

Systematic Name

English

1(.BETA.),2,3,6-TETRA-O-GALLOYLGLUCOSE

Systematic Name

English

1,2,3,6-TETRA-O-GALLOYL-.BETA.-D-GLUCOPYRANOSE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80904234