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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O2
Molecular Weight 236.3499
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acorone

SMILES

CC(C)[C@H]1C(=O)C[C@H](C)[C@@]12CC[C@@H](C)C(=O)C2

InChI

InChIKey=AGUISGUERLMHFF-PKIAMQTDSA-N
InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14+,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O2
Molecular Weight 236.3499
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 09:49:39 UTC 2023
Edited
by admin
on Sat Dec 16 09:49:39 UTC 2023
Record UNII
D9L24VH6YT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acorone
Common Name English
(1R,4S,5S,8R)-4,8-Dimethyl-1-(1-methylethyl)spiro[4.5]decane-2,7-dione
Systematic Name English
Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, [1R-[1α,4β,5β(R*)]]-
Systematic Name English
Spiro[4.5]decane-2,7-dione, 4,8-dimethyl-1-(1-methylethyl)-, (1R,4S,5S,8R)-
Systematic Name English
Code System Code Type Description
FDA UNII
D9L24VH6YT
Created by admin on Sat Dec 16 09:49:39 UTC 2023 , Edited by admin on Sat Dec 16 09:49:39 UTC 2023
PRIMARY
CAS
10121-28-5
Created by admin on Sat Dec 16 09:49:39 UTC 2023 , Edited by admin on Sat Dec 16 09:49:39 UTC 2023
PRIMARY
PUBCHEM
5316254
Created by admin on Sat Dec 16 09:49:39 UTC 2023 , Edited by admin on Sat Dec 16 09:49:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID30905993
Created by admin on Sat Dec 16 09:49:39 UTC 2023 , Edited by admin on Sat Dec 16 09:49:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
In view of the toxic properties documented for the oil and associated with beta-asarone , it has been recommended that only beta-asarone-free calamus root should be used in phytotherapy.