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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 of Avarone, (+)-

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-LWILDLIXSA-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+/m0/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 08:40:36 GMT 2023
Edited
by admin
on Sat Dec 16 08:40:36 GMT 2023
Record UNII
ZR36JQ984T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Avarone, (+)-
Common Name English
NSC-607774
Code English
2-[[(1R,2S,4aS,8aS)-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
(+)-Avarone
Common 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]-, [1R-(1α,2β,4aβ,8aα)]-
Systematic Name English
AVARONE
Common Name English
2,5-Cyclohexadiene-1,4-dione, 2-[[(1R,2S,4aS,8aS)-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
72186
Created by admin on Sat Dec 16 08:40:36 GMT 2023 , Edited by admin on Sat Dec 16 08:40:36 GMT 2023
PRIMARY
FDA UNII
ZR36JQ984T
Created by admin on Sat Dec 16 08:40:36 GMT 2023 , Edited by admin on Sat Dec 16 08:40:36 GMT 2023
PRIMARY
NSC
607774
Created by admin on Sat Dec 16 08:40:36 GMT 2023 , Edited by admin on Sat Dec 16 08:40:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID40203851
Created by admin on Sat Dec 16 08:40:36 GMT 2023 , Edited by admin on Sat Dec 16 08:40:36 GMT 2023
PRIMARY
CAS
55303-99-6
Created by admin on Sat Dec 16 08:40:36 GMT 2023 , Edited by admin on Sat Dec 16 08:40:36 GMT 2023
PRIMARY
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