Ethyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentylbenzoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O4
Molecular Weight	386.5244
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentylbenzoate

Structure Search

SMILES

CCCCCC1=C(C(=O)OCC)C(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1

InChI

InChIKey=MDYOBKSGBCAWFU-RBUKOAKNSA-N

InChI=1S/C24H34O4/c1-6-8-9-10-17-14-20(25)22(23(26)21(17)24(27)28-7-2)19-13-16(5)11-12-18(19)15(3)4/h13-14,18-19,25-26H,3,6-12H2,1-2,4-5H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O4
Molecular Weight	386.5244
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 `Sat Dec 16 20:11:52 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:52 GMT 2023`
Record UNII	4877DMU7ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentylbenzoate

Systematic Name

English

Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-, ethyl ester

Systematic Name

English

β-Resorcylic acid, 3-p-mentha-1,8-dien-3-yl-6-pentyl-, ethyl ester, (-)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4877DMU7ND

Created by admin on Sat Dec 16 20:11:52 GMT 2023 , Edited by admin on Sat Dec 16 20:11:52 GMT 2023

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CAS

22972-72-1

Created by admin on Sat Dec 16 20:11:52 GMT 2023 , Edited by admin on Sat Dec 16 20:11:52 GMT 2023

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PUBCHEM

132201388

Created by admin on Sat Dec 16 20:11:52 GMT 2023 , Edited by admin on Sat Dec 16 20:11:52 GMT 2023

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