F-13459

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H28O11
Molecular Weight	528.5046
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(=O)O[C@@H]3C4=CC(O)=CC(O)=C4C(=O)O[C@@]3(C)O

InChI

InChIKey=HFLIGULWCMOSDN-YWGGKZFVSA-N

InChI=1S/C27H28O11/c1-12(5-7-15-22(31)21-17(11-36-25(21)32)13(2)23(15)35-4)6-8-19(30)37-24-16-9-14(28)10-18(29)20(16)26(33)38-27(24,3)34/h5,9-10,24,28-29,31,34H,6-8,11H2,1-4H3/b12-5+/t24-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H28O11
Molecular Weight	528.5046
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:45:44 UTC 2023` Edited by `admin` on `Sat Dec 16 10:45:44 UTC 2023`
Record UNII	DN6NGB2QQ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

F-13459

Code

English

4-HEXENOIC ACID, 6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, (2R,3R)-3,4-DIHYDRO-3,6,8-TRIHYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-4-YL ESTER, (4E)-REL-

Systematic Name

English

F13459

Code

English

4-HEXENOIC ACID, 6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, (3R,4R)-3,4-DIHYDRO-3,6,8-TRIHYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-4-YL ESTER, (4E)-REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9828326

Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023

PRIMARY

CAS

357608-27-6

Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023

PRIMARY

FDA UNII

DN6NGB2QQ2

Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023

PRIMARY

Related Record Type Details


					DN6NGB2QQ2

F-13459

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