Trachyspic acid, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H28O9
Molecular Weight	412.4309
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)[C@](CC(O)=O)(O2)C(O)=O)C1=O

InChI

InChIKey=LQLCHKHILFZNKF-UAOJZALGSA-N

InChI=1S/C20H28O9/c1-2-3-4-5-6-7-8-9-13-12-28-20(16(13)23)10-14(17(24)25)19(29-20,18(26)27)11-15(21)22/h12,14H,2-11H2,1H3,(H,21,22)(H,24,25)(H,26,27)/t14-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O9
Molecular Weight	412.4309
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:55:40 GMT 2025` Edited by `admin` on `Wed Apr 02 14:55:40 GMT 2025`
Record UNII	U32USC3QC2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trachyspic acid, (±)-

Common Name

English

(±)-Trachyspic acid

Preferred Name

English

rel-(2R,3R,5R)-2-(Carboxymethyl)-8-nonyl-9-oxo-1,6-dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid

Systematic Name

English

1,6-Dioxaspiro[4.4]non-7-ene-2,3-dicarboxylic acid, 2-(carboxymethyl)-8-nonyl-9-oxo-, (2R,3R,5R)-rel-

Systematic Name

English

Code System Code Type Description

FDA UNII

U32USC3QC2

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

PRIMARY

PUBCHEM

11729317

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

PRIMARY

CAS

512808-12-7

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

PRIMARY

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