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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26O
Molecular Weight 222.3663
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAIOL

SMILES

C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O

InChI

InChIKey=TWVJWDMOZJXUID-SDDRHHMPSA-N
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H26O
Molecular Weight 222.3663
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 Sat Dec 16 06:48:52 UTC 2023
Edited
by admin
on Sat Dec 16 06:48:52 UTC 2023
Record UNII
I7WP008A91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUAIOL
MI  
Common Name English
GUAIAC ALCOHOL
Common Name English
CHAMPACOL
Common Name English
5-AZULENEMETHANOL, 1,2,3,4,5,6,7,8-OCTAHYDRO-.ALPHA.,.ALPHA.,3,8-TETRAMETHYL-, (3S,5R,8S)-
Systematic Name English
GUAJOL
Common Name English
NSC-19941
Code English
GUAIOL [MI]
Common Name English
(3S,5R,8S)-1,2,3,4,5,6,7,8-OCTAHYDRO-.ALPHA.,.ALPHA.3,8-TETRAMETHYL-5-AZULENEMETHANOL
Common Name English
Code System Code Type Description
CHEBI
5552
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID40883399
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
MERCK INDEX
m5862
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY Merck Index
CAS
489-86-1
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
RXCUI
2542348
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
FDA UNII
I7WP008A91
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
MESH
C469146
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-702-8
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
NSC
19941
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
WIKIPEDIA
GUAIOL
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
PUBCHEM
227829
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Sesquiterpene Class