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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O5
Molecular Weight 282.3322
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYMENOXONE

SMILES

[H][C@@]12C[C@@H](C)[C@]3([H])C[C@H](O)O[C@@H](O)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2

InChI

InChIKey=PYINVOHSOZSEPB-DKGLCQEFSA-N
InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12-,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O5
Molecular Weight 282.3322
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:44:01 GMT 2023
Edited
by admin
on Fri Dec 15 19:44:01 GMT 2023
Record UNII
AYR8B2NT77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYMENOXONE
HSDB  
Common Name English
NSC-217313
Code English
HYMENOVIN
Common Name English
HYMENOXONE [HSDB]
Common Name English
FURO(2',3':5,6)CYCLOHEPTA(1,2-C)PYRAN-2(3H)-ONE, DECAHYDRO-5,7-DIHYDROXY-4A,9-DIMETHYL-3-METHYLENE-, (3AR-(3A.ALPHA.,4A.BETA.,5.ALPHA.,7.BETA.,8A.ALPHA.,9.ALPHA.,10A.ALPHA.))
Common Name English
FURO(2',3':5,6)CYCLOHEPTA(1,2-C)PYRAN-2(3H)-ONE, DECAHYDRO-5,7-DIHYDROXY-4A,9-DIMETHYL-3-METHYLENE-, (3AR,4AS,5R,7R,8AS,9R,10AR)-
Common Name English
Code System Code Type Description
PUBCHEM
42295
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY
HSDB
3495
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY
FDA UNII
AYR8B2NT77
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY
CAS
57074-51-8
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID30972549
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY
CAS
57377-32-9
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY
NSC
217313
Created by admin on Fri Dec 15 19:44:01 GMT 2023 , Edited by admin on Fri Dec 15 19:44:01 GMT 2023
PRIMARY