CITRIFOLINOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28O14
Molecular Weight	564.4921
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1([H])[C@@]3(OC(=O)\C(=C\C4=CC=C(O)C=C4)[C@H]3O)[C@@]5([H])[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C(C(=O)OC)[C@@]25[H]

InChI

InChIKey=PPNNIWJAKIMLID-HJZUTWSRSA-N

InChI=1S/C26H28O14/c1-35-22(33)12-8-36-24(39-25-18(31)17(30)16(29)13(7-27)37-25)15-14(12)19-21(38-19)26(15)20(32)11(23(34)40-26)6-9-2-4-10(28)5-3-9/h2-6,8,13-21,24-25,27-32H,7H2,1H3/b11-6+/t13-,14-,15-,16-,17+,18-,19+,20-,21+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28O14
Molecular Weight	564.4921
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:01:35 GMT 2023` Edited by `admin` on `Sat Dec 16 10:01:35 GMT 2023`
Record UNII	60202OBY3A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITRIFOLINOSIDE A

Common Name

English

YOPAAOSIDE B

Common Name

English

SPIRO(FURAN-2(3H),6'(1'BH)-OXIRENO(3,4)CYCLOPENTA(1,2-C)PYRAN)-2'-CARBOXYLIC ACID, 5'-(.BETA.-D-GLUCOPYRANOSYLOXY)-1'A,4,5,5',5'A,6'A-HEXAHYDRO-3-HYDROXY-4-((4-HYDROXYPHENYL)METHYLENE)-5-OXO-, METHYL ESTER, (1'AS,1'BS,2S,3R,4E,5'S,5'AS,6'AS)-

Systematic Name

English

(+)-CITRIFOLINOSIDE A

Common Name

English

Code System Code Type Description

CAS

350590-52-2

Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023

PRIMARY

CAS

442198-13-2

Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023

SUPERSEDED

FDA UNII

60202OBY3A

Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023

PRIMARY

PUBCHEM

91618088

Created by admin on Sat Dec 16 10:01:35 GMT 2023 , Edited by admin on Sat Dec 16 10:01:35 GMT 2023

PRIMARY