U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C15H26O
Molecular Weight 222.3663
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-BISABOLOL, (±)-

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C15H26O
Molecular Weight 222.3663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:29 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:29 GMT 2023
Record UNII
36HQN158VC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-BISABOLOL, (±)-
Common Name English
3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL- 3-PENTENYL)-, (R*,R*)-
Systematic Name English
RACEMIC ALFA-BISABOLOL
Common Name English
BISABOLOL, .ALPHA.
Common Name English
ALPHA-BISABOLOL, (+-)-
Common Name English
CAMILOL
Common Name English
BISABOLOL, (±)-
Common Name English
3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL- 3-PENTENYL)-, (.THETA.,.THETA.)-(±)-
Systematic Name English
(±)-.ALPHA.-BISABOLOL
Common Name English
BISABOLA-1,12-DIEN-8-OL
Common Name English
BISABOLOL, ALPHA
Common Name English
5-HEPTEN-2-OL, 6-METHYL-2-(4-METHYL-3-CYCLOHEXEN-1-YL)-
Systematic Name English
Bisabolol [WHO-DD]
Common Name English
DRAGOSANTOL
Common Name English
3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL- 3-PENTEN-1-YL)-, (.ALPHA.R,1R)-REL-
Systematic Name English
HYDAGEN B
Common Name English
.ALPHA.-BISABOLOL [MI]
Common Name English
Code System Code Type Description
CAS
515-69-5
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
MERCK INDEX
m2515
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY Merck Index
PUBCHEM
1549992
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
CAS
25428-43-7
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
SUPERSEDED
ECHA (EC/EINECS)
246-973-7
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
ALTERNATIVE
FDA UNII
36HQN158VC
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
EVMPD
SUB120203
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
DAILYMED
36HQN158VC
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID5045964
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-205-9
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY
SMS_ID
100000087808
Created by admin on Fri Dec 15 15:57:29 GMT 2023 , Edited by admin on Fri Dec 15 15:57:29 GMT 2023
PRIMARY