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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O2
Molecular Weight 234.334
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAKKENOLIDE A

SMILES

[H][C@@]12C[C@@]3(C[C@]1(C)[C@@H](C)CCC2)C(=C)COC3=O

InChI

InChIKey=OVXAYHNZXBOVPV-QMGNLALYSA-N
InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O2
Molecular Weight 234.334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:15:52 GMT 2023
Edited
by admin
on Fri Dec 15 20:15:52 GMT 2023
Record UNII
T86ZPP5FMQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAKKENOLIDE A
Common Name English
FUKINANOLID
Common Name English
SPIRO(FURAN-3(2H),2'-(2H)INDEN)-2-ONE, DECAHYDRO-3'A,4'-DIMETHYL-4-METHYLENE-, (2'R-(2'.ALPHA.,3'A.ALPHA.,4'.ALPHA.,7'A.ALPHA.))-
Common Name English
BAKKENOLIDE A, (+)-
Common Name English
(+)-BAKKENOLIDE A
Common Name English
SPIRO(FURAN-3(2H),2'-(2H)INDEN)-2-ONE, DECAHYDRO-3'A,4'-DIMETHYL-4-METHYLENE-, (2'R,3'AR,4'S,7'AR)-
Common Name English
SPIRO(FURAN-3(2H),2'-INDAN)-2-ONE, 3'A,4,4',5,5',6',7',7'A.BETA.-OCTAHYDRO-3'A.BETA.,4'.BETA.-DIMETHYL-4-METHYLENE-, (2'R)-
Common Name English
FUKINANOLIDE
Common Name English
BAKKENOLID A
Common Name English
NSC-292655
Code English
Code System Code Type Description
FDA UNII
T86ZPP5FMQ
Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023
PRIMARY
NSC
292655
Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023
PRIMARY
CAS
19906-72-0
Created by admin on Fri Dec 15 20:15:52 GMT 2023 , Edited by admin on Fri Dec 15 20:15:52 GMT 2023
PRIMARY
PUBCHEM
442173
Created by admin on Fri Dec 15 20:15:53 GMT 2023 , Edited by admin on Fri Dec 15 20:15:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID20173684
Created by admin on Fri Dec 15 20:15:52 GMT 2023 , Edited by admin on Fri Dec 15 20:15:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Major component of the volatile oil of butterbur.