Avarone, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O2
Molecular Weight	312.4458
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CC3=CC(=O)C=CC3=O

InChI

InChIKey=VPRHEJGLNUDEEH-DVMWJLJYSA-N

InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O2
Molecular Weight	312.4458
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 19:29:29 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:29 GMT 2023`
Record UNII	8U6VHD4GYF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Avarone, (-)-

Common Name

English

2-[[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-Octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-2,5-cyclohexadiene-1,4-dione

Systematic Name

English

2,5-Cyclohexadiene-1,4-dione, 2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1S-(1α,2β,4aβ,8aα)]-

Systematic Name

English

(-)-Avarone

Common Name

English

2,5-Cyclohexadiene-1,4-dione, 2-[[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90473424

Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023

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CAS

186416-52-4

Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023

PRIMARY

FDA UNII

8U6VHD4GYF

Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023

PRIMARY

Related Record Type Details


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Avarone, (+)-

ENANTIOMER -> ENANTIOMER

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