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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O6
Molecular Weight 300.3475
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICHOTHEC-9-ENE-3,4,8,12,15-PENTOL, (3.ALPHA.,4.BETA.,8.ALPHA.)-

SMILES

[H][C@]12O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@@]3(C)O)[C@@]1(CO)C[C@H](O)C(C)=C2

InChI

InChIKey=CVNSBFOSELRQNK-VQNOOQAGSA-N
InChI=1S/C15H24O6/c1-7-4-9-15(6-16,5-8(7)17)13(2)11(19)10(18)12(21-9)14(13,3)20/h4,8-12,16-20H,5-6H2,1-3H3/t8-,9+,10+,11+,12+,13-,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H24O6
Molecular Weight 300.3475
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:50:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:32 GMT 2023
Record UNII
IX9950I66W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICHOTHEC-9-ENE-3,4,8,12,15-PENTOL, (3.ALPHA.,4.BETA.,8.ALPHA.)-
Common Name English
TRICHOTHEC-9-ENE-3ALPHA,4BETA,8ALPHA,12ALPHA,15-PENTOL-
Common Name English
Code System Code Type Description
FDA UNII
IX9950I66W
Created by admin on Sat Dec 16 12:50:32 GMT 2023 , Edited by admin on Sat Dec 16 12:50:32 GMT 2023
PRIMARY
CAS
89121-47-1
Created by admin on Sat Dec 16 12:50:32 GMT 2023 , Edited by admin on Sat Dec 16 12:50:32 GMT 2023
PRIMARY
PUBCHEM
122706800
Created by admin on Sat Dec 16 12:50:32 GMT 2023 , Edited by admin on Sat Dec 16 12:50:32 GMT 2023
PRIMARY