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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O4
Molecular Weight 266.3328
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMBUCINOL

SMILES

CC1=C[C@]23O[C@@H]4[C@@H](O)C[C@](C)([C@@]2(C)CC1)[C@]4(CO)O3

InChI

InChIKey=GFLMBFRNOPTZDK-CMBQYIQPSA-N
InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O4
Molecular Weight 266.3328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:10:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:10:55 GMT 2023
Record UNII
VYS174Q62V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMBUCINOL
Common Name English
TRICHOTHEC-9-ENE-3,13-DIOL, 11,12-EPOXY-, (3.BETA.,11.BETA.,12R)-
Systematic Name English
Code System Code Type Description
CAS
90044-33-0
Created by admin on Sat Dec 16 10:10:55 GMT 2023 , Edited by admin on Sat Dec 16 10:10:55 GMT 2023
PRIMARY
PUBCHEM
5459101
Created by admin on Sat Dec 16 10:10:55 GMT 2023 , Edited by admin on Sat Dec 16 10:10:55 GMT 2023
PRIMARY
FDA UNII
VYS174Q62V
Created by admin on Sat Dec 16 10:10:55 GMT 2023 , Edited by admin on Sat Dec 16 10:10:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID30891842
Created by admin on Sat Dec 16 10:10:55 GMT 2023 , Edited by admin on Sat Dec 16 10:10:55 GMT 2023
PRIMARY