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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24
Molecular Weight 204.3511
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.-GUAIENE

SMILES

[H][C@@]12C[C@@H](CCC(C)=C1CC[C@@H]2C)C(C)=C

InChI

InChIKey=YHAJBLWYOIUHHM-GUTXKFCHSA-N
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24
Molecular Weight 204.3511
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 15:18:48 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:48 GMT 2023
Record UNII
2U8L6FYE8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.DELTA.-GUAIENE
Common Name English
(3R,3AS,5S)-3,8-DIMETHYL-5-PROP-1-EN-2-YL-1,2,3,3A,4,5,6,7-OCTAHYDROAZULENE
Systematic Name English
.DELTA.-BULNESENE
Common Name English
.ALPHA.-BULNESENE
Common Name English
AZULENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,4-DIMETHYL-7-(1-METHYLETHENYL)-, (1S,7R,8AS)-
Systematic Name English
Code System Code Type Description
CAS
3691-11-0
Created by admin on Sat Dec 16 15:18:48 GMT 2023 , Edited by admin on Sat Dec 16 15:18:48 GMT 2023
PRIMARY
FDA UNII
2U8L6FYE8U
Created by admin on Sat Dec 16 15:18:48 GMT 2023 , Edited by admin on Sat Dec 16 15:18:48 GMT 2023
PRIMARY
PUBCHEM
94275
Created by admin on Sat Dec 16 15:18:48 GMT 2023 , Edited by admin on Sat Dec 16 15:18:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID30190387
Created by admin on Sat Dec 16 15:18:48 GMT 2023 , Edited by admin on Sat Dec 16 15:18:48 GMT 2023
PRIMARY