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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20O6
Molecular Weight 332.3478
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BYSSOCHLAMIC ACID

SMILES

CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O

InChI

InChIKey=NRDWUPPIGBHWAS-ZJUUUORDSA-N
InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H20O6
Molecular Weight 332.3478
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 Sat Dec 16 09:41:31 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:31 GMT 2023
Record UNII
PQ89T8R2LB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BYSSOCHLAMIC ACID
Common Name English
(4S,10R)-10-ETHYL-5,9,10,11-TETRAHYDRO-4-PROPYL-1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE
Systematic Name English
(+)-BYSSOCHLAMIC ACID
Common Name English
1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10-ETHYL-5,9,10,11-TETRAHYDRO-4-PROPYL-, (4S,10R)-
Systematic Name English
Code System Code Type Description
CAS
743-51-1
Created by admin on Sat Dec 16 09:41:31 GMT 2023 , Edited by admin on Sat Dec 16 09:41:31 GMT 2023
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FDA UNII
PQ89T8R2LB
Created by admin on Sat Dec 16 09:41:31 GMT 2023 , Edited by admin on Sat Dec 16 09:41:31 GMT 2023
PRIMARY
PUBCHEM
164723
Created by admin on Sat Dec 16 09:41:31 GMT 2023 , Edited by admin on Sat Dec 16 09:41:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID80225315
Created by admin on Sat Dec 16 09:41:31 GMT 2023 , Edited by admin on Sat Dec 16 09:41:31 GMT 2023
PRIMARY