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 NEOSPOROL

SMILES

C[C@@]12CC[C@H]3O[C@]4(C[C@]5(C)CC[C@]14CO5)O[C@@]23CO

InChI

InChIKey=JZBQVIVQWFTPFM-ARSDKDGVSA-N
InChI=1S/C15H22O4/c1-11-5-6-13(9-17-11)12(2)4-3-10-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m1/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 10:37:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:01 GMT 2023
Record UNII
94D5FO7TZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOSPOROL
Common Name English
TRICHOTHECAN-13-OL, 9,15:11,12-DIEPOXY-, (9.ALPHA.,11.BETA.,12R)-
Systematic Name English
Code System Code Type Description
CAS
124699-58-7
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY
PUBCHEM
119025672
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY
FDA UNII
94D5FO7TZX
Created by admin on Sat Dec 16 10:37:01 GMT 2023 , Edited by admin on Sat Dec 16 10:37:01 GMT 2023
PRIMARY