LIGSTROSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32O12
Molecular Weight	524.5144
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]2(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C([C@@H](CC(=O)OCCC3=CC=C(O)C=C3)\C2=C/C)C(=O)OC

InChI

InChIKey=GMQXOLRKJQWPNB-MVVLSVRYSA-N

InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H32O12
Molecular Weight	524.5144
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:54:44 GMT 2023` Edited by `admin` on `Sat Dec 16 01:54:44 GMT 2023`
Record UNII	83S9SA69C5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LIGSTROSIDE

Common Name

English

LIGUSTROSIDE

Common Name

English

2H-PYRAN-4-ACETIC ACID, 3-ETHYLIDENE-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, 2-(4-HYDROXYPHENYL)ETHYL ESTER, (2S,3E,4S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701318124