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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-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
  • Download
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
PRIMARY
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
ENANTIOMER -> ENANTIOMER