2,4-Bis[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H44O2
Molecular Weight	448.6799
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-Bis[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

Structure Search

SMILES

CCCCCC1=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C([C@@H]3C=C(C)CC[C@H]3C(C)=C)C(O)=C1

InChI

InChIKey=PRJYEZQXCUCQCI-GWMMUDDPSA-N

InChI=1S/C31H44O2/c1-8-9-10-11-23-18-28(32)30(27-17-22(7)13-15-25(27)20(4)5)31(33)29(23)26-16-21(6)12-14-24(26)19(2)3/h16-18,24-27,32-33H,2,4,8-15H2,1,3,5-7H3/t24-,25-,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H44O2
Molecular Weight	448.6799
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:07:26 GMT 2023` Edited by `admin` on `Sat Dec 16 20:07:26 GMT 2023`
Record UNII	333JU46EKU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-Bis[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

Systematic Name

English

1,3-Benzenediol, 2,4-bis[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-

Systematic Name

English

Code System Code Type Description

CAS

2602503-14-8

Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023

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FDA UNII

333JU46EKU

Created by admin on Sat Dec 16 20:07:26 GMT 2023 , Edited by admin on Sat Dec 16 20:07:26 GMT 2023

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