TRACHYSPIC ACID

Details

Stereochemistry	ABSOLUTE
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 `Sat Dec 16 17:01:59 GMT 2023` Edited by `admin` on `Sat Dec 16 17:01:59 GMT 2023`
Record UNII	VJA25444QX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRACHYSPIC ACID

Common Name

English

(+)-TRACHYSPIC ACID

Common Name

English

(3S,4S,6S)-TRACHYSPIC ACID

Systematic Name

English

(2S,3S,5S)-2-(CARBOXYMETHYL)-8-NONYL-9-OXO-1,6-DIOXASPIRO(4.4)NON-7-ENE-2,3-DICARBOXYLIC ACID

Systematic Name

English

TRACHYSPIC ACID, (+)-

Common Name

English

(+)-(3S,4S,6S)-TRACHYSPIC ACID

Systematic Name

English

1,6-DIOXASPIRO(4.4)NON-7-ENE-2,3-DICARBOXYLIC ACID, 2-(CARBOXYMETHYL)-8-NONYL-9-OXO-, (2S,3S,5S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VJA25444QX