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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H26O
Molecular Weight 234.377
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Callicarpenal, (-)-

SMILES

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

InChI

InChIKey=MPWIIQYWQOBNKS-UGUYLWEFSA-N
InChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H26O
Molecular Weight 234.377
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 17:41:07 GMT 2023
Edited
by admin
on Sat Dec 16 17:41:07 GMT 2023
Record UNII
HX4WCL7DPK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Callicarpenal, (-)-
Common Name English
1-NAPHTHALENEACETALDEHYDE, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-, (1S-(1.ALPHA.,2.BETA.,4A.BETA.,8A.ALPHA.))-
Systematic Name English
(1S,2R,4AR,8AR)-1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-1-NAPHTHALENEACETALDEHYDE
Systematic Name English
(-)-Callicarpenal
Common Name English
1-NAPHTHALENEACETALDEHYDE, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-, (1S,2R,4AR,8AR)-
Systematic Name English
CALLICARPENAL
Common Name English
Code System Code Type Description
PUBCHEM
11107286
Created by admin on Sat Dec 16 17:41:07 GMT 2023 , Edited by admin on Sat Dec 16 17:41:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID00455470
Created by admin on Sat Dec 16 17:41:07 GMT 2023 , Edited by admin on Sat Dec 16 17:41:07 GMT 2023
PRIMARY
WIKIPEDIA
Callicarpenal
Created by admin on Sat Dec 16 17:41:07 GMT 2023 , Edited by admin on Sat Dec 16 17:41:07 GMT 2023
PRIMARY
FDA UNII
HX4WCL7DPK
Created by admin on Sat Dec 16 17:41:07 GMT 2023 , Edited by admin on Sat Dec 16 17:41:07 GMT 2023
PRIMARY
CAS
161105-12-0
Created by admin on Sat Dec 16 17:41:07 GMT 2023 , Edited by admin on Sat Dec 16 17:41:07 GMT 2023
PRIMARY