THUJAPLICATIN METHYL ETHER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24O7
Molecular Weight	388.4111
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(C[C@@H]2COC(=O)[C@H]2CC3=CC(OC)=C(O)C(OC)=C3)=CC=C1O

InChI

InChIKey=XMLWGUKRPGLJGA-CABCVRRESA-N

InChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24O7
Molecular Weight	388.4111
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:03:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:40 GMT 2025`
Record UNII	2VJD5SJF7V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THUJAPLICATIN METHYL ETHER

Common Name

English

(3S,4S)-DIHYDRO-3-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-4-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-2(3H)-FURANONE

Preferred Name

English

2(3H)-FURANONE, DIHYDRO-3-(4-HYDROXY-3,5-DIMETHOXYBENZYL)-4-VANILLYL-

Systematic Name

English

2(3H)-FURANONE, DIHYDRO-3-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYL)-4-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3S,4S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40215434

Created by admin on Mon Mar 31 22:03:40 GMT 2025 , Edited by admin on Mon Mar 31 22:03:40 GMT 2025

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FDA UNII

2VJD5SJF7V

Created by admin on Mon Mar 31 22:03:40 GMT 2025 , Edited by admin on Mon Mar 31 22:03:40 GMT 2025

PRIMARY

CAS

6512-67-0

Created by admin on Mon Mar 31 22:03:40 GMT 2025 , Edited by admin on Mon Mar 31 22:03:40 GMT 2025

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PUBCHEM

192827

Created by admin on Mon Mar 31 22:03:40 GMT 2025 , Edited by admin on Mon Mar 31 22:03:40 GMT 2025

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