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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H22O4
Molecular Weight 230.3007
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TALAROMYCIN B

SMILES

CC[C@@H]1CC[C@@]2(C[C@H](O)[C@@H](CO)CO2)OC1

InChI

InChIKey=VDWRKBZMQNPUOB-NOOOWODRSA-N
InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10+,11+,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H22O4
Molecular Weight 230.3007
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 Sat Dec 16 13:29:43 GMT 2023
Edited
by admin
on Sat Dec 16 13:29:43 GMT 2023
Record UNII
BE3756MH6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TALAROMYCIN B
Common Name English
(3S,4S,6R,9R)-9-ETHYL-4-HYDROXY-1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL
Systematic Name English
1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL, 9-ETHYL-4-HYDROXY-, (3S,4S,6R,9R)-
Systematic Name English
TALAROMYCIN-B
Common Name English
(-)-TALAROMYCIN B
Common Name English
1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL, 9-ETHYL-4-HYDROXY-, (3S-(3.ALPHA.,4.BETA.,6.ALPHA.(S*)))-(3S,4S,6R,9R)-9-ETHYL-4-HYDROXY-1,7-DIOXASPIRO(5.5)UNDECANE-3-METHANOL
Systematic Name English
(3R,6R,8S,9S)-3-ETHYL-9-(HYDROXYMETHYL)-5,11-DIOXASPIRO(5.5)UNDECAN-8-OL
Systematic Name English
Code System Code Type Description
FDA UNII
BE3756MH6J
Created by admin on Sat Dec 16 13:29:43 GMT 2023 , Edited by admin on Sat Dec 16 13:29:43 GMT 2023
PRIMARY
PUBCHEM
158569
Created by admin on Sat Dec 16 13:29:43 GMT 2023 , Edited by admin on Sat Dec 16 13:29:43 GMT 2023
PRIMARY
CAS
83780-27-2
Created by admin on Sat Dec 16 13:29:43 GMT 2023 , Edited by admin on Sat Dec 16 13:29:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90232636
Created by admin on Sat Dec 16 13:29:43 GMT 2023 , Edited by admin on Sat Dec 16 13:29:43 GMT 2023
PRIMARY