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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26O
Molecular Weight 222.3663
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BISABOLOL

SMILES

C[C@@H](CCC=C(C)C)[C@]1(O)CCC(C)=CC1

InChI

InChIKey=WTVHAMTYZJGJLJ-LSDHHAIUSA-N
InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H26O
Molecular Weight 222.3663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 07:37:21 UTC 2019
Edited
by admin
on Tue Oct 22 07:37:21 UTC 2019
Record UNII
LP618AV2EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-BISABOLOL
Common Name English
3-CYCLOHEXEN-1-OL, 1-((1S)-1,5-DIMETHYL-4-HEXENYL)-4-METHYL-, (1S)-
Systematic Name English
3-CYCLOHEXEN-1-OL, 1-((1S)-1,5-DIMETHYL-4-HEXEN-1-YL)-4-METHYL-, (1S)-
Systematic Name English
3-CYCLOHEXEN-1-OL, 1-(1,5-DIMETHYL-4-HEXENYL)-4-METHYL-, (S-(R*,R*))-
Common Name English
BETA-BISABOLOL
Common Name English
Code System Code Type Description
PUBCHEM
12300148
Created by admin on Tue Oct 22 07:37:21 UTC 2019 , Edited by admin on Tue Oct 22 07:37:21 UTC 2019
PRIMARY
RXCUI
1359424
Created by admin on Tue Oct 22 07:37:21 UTC 2019 , Edited by admin on Tue Oct 22 07:37:21 UTC 2019
PRIMARY RxNorm
CAS
15352-77-9
Created by admin on Tue Oct 22 07:37:21 UTC 2019 , Edited by admin on Tue Oct 22 07:37:21 UTC 2019
PRIMARY
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