NEGUNDOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O12
Molecular Weight	496.4612
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@](C)(O)[C@@]1([H])[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C4=CC=C(O)C=C4)OC=C2C(O)=O

InChI

InChIKey=RFCSGMIUBXUYSE-KLZCBZFCSA-N

InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)9-32-21(15(12)23)35-22-18(17(27)16(26)14(8-24)33-22)34-20(30)10-2-4-11(25)5-3-10/h2-5,9,12,14-18,21-22,24-27,31H,6-8H2,1H3,(H,28,29)/t12-,14-,15-,16-,17+,18-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O12
Molecular Weight	496.4612
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:11:29 UTC 2023` Edited by `admin` on `Sat Dec 16 12:11:29 UTC 2023`
Record UNII	78XBW51XWI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEGUNDOSIDE

Common Name

English

CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1,4A,5,6,7,7A-HEXAHYDRO-7-HYDROXY-1-((2-O-(4-HYDROXYBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-METHYL-, (1S-(1.ALPHA.,4A.ALPHA.,7.ALPHA.,7A.ALPHA.))-

Systematic Name

English

(1S,4AS,7S,7AS)-1,4A,5,6,7,7A-HEXAHYDRO-7-HYDROXY-1-((2-O-(4-HYDROXYBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-METHYLCYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID

Systematic Name

English

NEGUNDOSIDE [USP-RS]

Common Name

English

CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1,4A,5,6,7,7A-HEXAHYDRO-7-HYDROXY-1-((2-O-(4-HYDROXYBENZOYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-7-METHYL-, (1S,4AS,7S,7AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9935561

Created by admin on Sat Dec 16 12:11:29 UTC 2023 , Edited by admin on Sat Dec 16 12:11:29 UTC 2023

PRIMARY

CAS

82451-20-5

Created by admin on Sat Dec 16 12:11:29 UTC 2023 , Edited by admin on Sat Dec 16 12:11:29 UTC 2023

PRIMARY

FDA UNII

78XBW51XWI

Created by admin on Sat Dec 16 12:11:29 UTC 2023 , Edited by admin on Sat Dec 16 12:11:29 UTC 2023

PRIMARY

RS_ITEM_NUM

1457695

Created by admin on Sat Dec 16 12:11:29 UTC 2023 , Edited by admin on Sat Dec 16 12:11:29 UTC 2023

PRIMARY

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VITEX NEGUNDO LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: