CIMICIFUGIC ACID A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O11
Molecular Weight	448.3777
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COc1cc(ccc1O)/C(/[H])=C(\[H])/C(=O)O[C@]([H])(C(=O)O)[C@](Cc2ccc(c(c2)O)O)(C(=O)O)O

InChI

InChIKey=LIJMMUDJSMCVDJ-ZHBFVYIWSA-N

InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O11
Molecular Weight	448.3777
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 Jun 26 08:58:17 UTC 2021` Edited by `admin` on `Sat Jun 26 08:58:17 UTC 2021`
Record UNII	0S0MJU107Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMICIFUGIC ACID A

Common Name

English

CIMICIFUGA ACID A

Common Name

English

BUTANEDIOIC ACID, 2-((3,4-DIHYDROXYPHENYL)METHYL)-2-HYDROXY-3-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (2R,3S)-

Systematic Name

English

BUTANEDIOIC ACID, 2-((3,4-DIHYDROXYPHENYL)METHYL)-2-HYDROXY-3-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (2R,3S)-

Systematic Name

English

BUTANEDIOIC ACID, 2-((3,4-DIHYDROXYPHENYL)METHYL)-2-HYDROXY-3-((3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (S-(R*,S*-(E)))-

Systematic Name

English

BUTANEDIOIC ACID, 2-((3,4-DIHYDROXYPHENYL)METHYL)-2-HYDROXY-3-((3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (S-(R*,S*(E)))-

Systematic Name

English

Code System Code Type Description

CAS

205114-65-4

Created by admin on Sat Jun 26 08:58:17 UTC 2021 , Edited by admin on Sat Jun 26 08:58:17 UTC 2021

PRIMARY

FDA UNII

0S0MJU107Z

Created by admin on Sat Jun 26 08:58:17 UTC 2021 , Edited by admin on Sat Jun 26 08:58:17 UTC 2021

PRIMARY

PUBCHEM

6449879

Created by admin on Sat Jun 26 08:58:17 UTC 2021 , Edited by admin on Sat Jun 26 08:58:17 UTC 2021

PRIMARY

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