Cristatic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H28O5
Molecular Weight	384.4654
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CC1=CC(CCC\C(C)=C\CC2=C(O)C(C(O)=O)=C(C)C=C2O)=CO1

InChI

InChIKey=SHLSLIGKNZUPMK-OVCLIPMQSA-N

InChI=1S/C23H28O5/c1-14(2)10-18-12-17(13-28-18)7-5-6-15(3)8-9-19-20(24)11-16(4)21(22(19)25)23(26)27/h8,10-13,24-25H,5-7,9H2,1-4H3,(H,26,27)/b15-8+

HIDE SMILES / InChI

Molecular Formula	C23H28O5
Molecular Weight	384.4654
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:59:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:59:17 GMT 2025`
Record UNII	V2UHQ4A27L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-338268

Preferred Name

English

Cristatic acid

Common Name

English

2,4-Dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propen-1-yl)-3-furanyl]-2-hexen-1-yl]benzoic acid

Systematic Name

English

Benzoic acid, 2,4-dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propen-1-yl)-3-furanyl]-2-hexen-1-yl]-

Systematic Name

English

Benzoic acid, 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methyl-1-propenyl)-3-furanyl]-2-hexenyl]-, (E)-

Systematic Name

English

Benzoic acid, 2,4-dihydroxy-6-methyl-3-[(2E)-3-methyl-6-[5-(2-methyl-1-propenyl)-3-furanyl]-2-hexenyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5458761

Created by admin on Tue Apr 01 19:59:18 GMT 2025 , Edited by admin on Tue Apr 01 19:59:18 GMT 2025

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FDA UNII

V2UHQ4A27L

Created by admin on Tue Apr 01 19:59:18 GMT 2025 , Edited by admin on Tue Apr 01 19:59:18 GMT 2025

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NSC

338268

Created by admin on Tue Apr 01 19:59:18 GMT 2025 , Edited by admin on Tue Apr 01 19:59:18 GMT 2025

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CAS

80557-13-7

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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EPA CompTox

DTXSID801110375

Created by admin on Tue Apr 01 19:59:18 GMT 2025 , Edited by admin on Tue Apr 01 19:59:18 GMT 2025

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