LIMONIN GLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H42O14
Molecular Weight	650.6675
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@](C)([C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6=COC=C6)[C@@]47O[C@@H]7C(O)=O

InChI

InChIKey=FYIKIBQJAJRKQM-WNCNYDOCSA-N

InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H42O14
Molecular Weight	650.6675
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:57:05 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:05 GMT 2025`
Record UNII	9553Q8Z7PF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LIMONIN GLUCOSIDE

Common Name

English

LIMONIN 17-.BETA.-D-GLUCOPYRANOSIDE

Preferred Name

English

SPIRO(9H,11H-NAPHTHO(1',2':3,4)FURO(3,2-C)PYRAN-5(2H),2'-OXIRANE)-3'-CARBOXYLIC ACID, 6-((S)-3-FURANYL(.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-2,2,4A,6-TETRAMETHYL-4,11-DIOXO-, (2AR,3'S,4AS,5R,6S,8AR,8BR,12AS)-

Systematic Name

English

(2AR,3'S,4AS,5R,6S,8AR,8BR,12AS)-6-((S)-3-FURANYL(.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-2,2,4A,6-TETRAMETHYL-4,11-DIOXOSPIRO(9H,11H-NAPHTHO(1',2':3,4)FURO(3,2-C)PYRAN-5(2H),2'-OXIRANE)-3'-CARBOXYLIC ACID

Systematic Name

English

LIMONOIC ACID, 17-O-.BETA.-D-GLUCOPYRANOSYL-, .DELTA.-LACTONE

Systematic Name

English

Code System Code Type Description

FDA UNII

9553Q8Z7PF

Created by admin on Mon Mar 31 21:57:05 GMT 2025 , Edited by admin on Mon Mar 31 21:57:05 GMT 2025

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CAS

123564-61-4

Created by admin on Mon Mar 31 21:57:05 GMT 2025 , Edited by admin on Mon Mar 31 21:57:05 GMT 2025

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PUBCHEM

24820753

Created by admin on Mon Mar 31 21:57:05 GMT 2025 , Edited by admin on Mon Mar 31 21:57:05 GMT 2025

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EPA CompTox

DTXSID80924538

Created by admin on Mon Mar 31 21:57:05 GMT 2025 , Edited by admin on Mon Mar 31 21:57:05 GMT 2025

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