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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 .BETA.-ELEMENE

SMILES

C=C[C@]1(C)CC[C@]([H])(C[C@@]1([H])C(=C)C)C(=C)C

InChI

InChIKey=OPFTUNCRGUEPRZ-QLFBSQMISA-N
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/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

PubMed

PubMed

TitleDatePubMed
β-Elemene inhibits the proliferation of primary human airway granulation fibroblasts by down-regulating canonical Wnt/β-catenin pathway.
2018 Apr 27
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:28:55 UTC 2021
Edited
by admin
on Sat Jun 26 06:28:55 UTC 2021
Record UNII
2QG8CX6LXD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-ELEMENE
Common Name English
ELEMENE, (-)-.BETA.-
Common Name English
CYCLOHEXANE, 1-ETHENYL-1-METHYL-2,4-BIS(1-METHYLETHENYL)-, (1S,2S,4R)-
Systematic Name English
(-)-.BETA.-ELEMENE
Common Name English
.BETA.-ELEMEN
Common Name English
Code System Code Type Description
EVMPD
SUB193895
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
PRIMARY
PUBCHEM
6918391
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
PRIMARY
ECHA (EC/EINECS)
251-713-0
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
PRIMARY
CAS
515-13-9
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
PRIMARY
CAS
33880-83-0
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
2QG8CX6LXD
Created by admin on Sat Jun 26 06:28:55 UTC 2021 , Edited by admin on Sat Jun 26 06:28:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Sesquiterpene Class