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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3516
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-BERGAMOTENE, (E)-(-)-

SMILES

CC(=CCC[C@]1(C)[C@@]2([H])CC=C(C)[C@]1([H])C2)C

InChI

InChIKey=YMBFCQPIMVLNIU-SOUVJXGZSA-N
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3516
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:24:28 UTC 2021
Edited
by admin
on Fri Jun 25 23:24:28 UTC 2021
Record UNII
599TK2712C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-BERGAMOTENE, (E)-(-)-
Common Name English
BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTEN-1-YL)-, (1S,5S,6R)-
Systematic Name English
BICYCLO(3.1.1)HEPT-2-ENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, (1S-(1.ALPHA.,5.ALPHA.,6.ALPHA.))-
Common Name English
(-)-TRANS-.ALPHA.-BERGAMOTENE
Common Name English
.ALPHA.-BERGAMOTENE, (-)-TRANS-
Common Name English
.ALPHA.-TRANS-BERGAMOTENE
Common Name English
TRANS-.ALPHA.-BERGAMOTENE
Common Name English
2-NORPINENE, 2,6-DIMETHYL-6-(4-METHYL-3-PENTENYL)-, TRANS-(-)
Common Name English
(-)-EXO-.ALPHA.-BERGAMOTENE
Common Name English
.ALPHA.BERGAMOTENE, TRANS-
Common Name English
Code System Code Type Description
FDA UNII
599TK2712C
Created by admin on Fri Jun 25 23:24:28 UTC 2021 , Edited by admin on Fri Jun 25 23:24:28 UTC 2021
PRIMARY
PUBCHEM
6429302
Created by admin on Fri Jun 25 23:24:28 UTC 2021 , Edited by admin on Fri Jun 25 23:24:28 UTC 2021
PRIMARY
CAS
13474-59-4
Created by admin on Fri Jun 25 23:24:28 UTC 2021 , Edited by admin on Fri Jun 25 23:24:28 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Sesquiterpene Class